2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C72H83F6N27O8 — CID 158557357

IUPAC2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES[2H]C1(C(=O)N2C([2H])([2H])C([2H])([2H])N(C3COC3)C([2H])([2H])C2([2H])[2H])CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.[2H]C1([2H])N(C(=O)C2CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C([2H])([2H])C([2H])([2H])N(C2COC2)C1([2H])[2H].[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(C(=O)C2CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1([2H])[2H]
InChIInChI=1S/2C25H29F2N9O3.C22H25F2N9O2/c2*26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17;23-14-9-28-20-17(19(25)30-33(20)12-14)21(34)29-16-11-27-10-15(24)18(16)31-5-1-13(2-6-31)22(35)32-7-3-26-4-8-32/h2*9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37);9-13,26H,1-8H2,(H2,25,30)(H,29,34)/i5D2,6D2,7D2,8D2,15D;5D2,6D2,7D2,8D2;3D2,4D2,7D2,8D2
InChIKeyHQLMPNMRZYRQTH-SFITVLBFSA-N
MW1593.78 g/mol
LogP2.88
Rot. Bonds14

About 2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158557357) has the molecular formula C72H83F6N27O8 and a molecular weight of 1593.78 g/mol. Its IUPAC name is 2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158557357
Molecular FormulaC72H83F6N27O8
Molecular Weight1593.78 g/mol
Exact Mass1592.84
IUPAC Name2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES[2H]C1(C(=O)N2C([2H])([2H])C([2H])([2H])N(C3COC3)C([2H])([2H])C2([2H])[2H])CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.[2H]C1([2H])N(C(=O)C2CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C([2H])([2H])C([2H])([2H])N(C2COC2)C1([2H])[2H].[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(C(=O)C2CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1([2H])[2H]
InChIInChI=1S/2C25H29F2N9O3.C22H25F2N9O2/c2*26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17;23-14-9-28-20-17(19(25)30-33(20)12-14)21(34)29-16-11-27-10-15(24)18(16)31-5-1-13(2-6-31)22(35)32-7-3-26-4-8-32/h2*9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37);9-13,26H,1-8H2,(H2,25,30)(H,29,34)/i5D2,6D2,7D2,8D2,15D;5D2,6D2,7D2,8D2;3D2,4D2,7D2,8D2
InChIKeyHQLMPNMRZYRQTH-SFITVLBFSA-N
XLogP2.88
TPSA402.22 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds14
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001593.78
LogP ≤ 52.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze 2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Gartisertib
CID 86720912
2-amino-6-fluoro-N-(4-(4-(oxetan-3-yl)piperazin-1-yl)pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86720893
2-amino-6-fluoro-N-(5-fluoro-4-(4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl)pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86720901
2-amino-6-fluoro-N-(5-fluoro-4-(4-(piperazine-1-carbonyl)piperidin-1-yl)pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86720979
2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90198991
2-amino-N-[4-[4-[3-(dimethylamino)azetidine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199018
2-amino-N-[4-[4-(1,2,3,5,6,7,8,8a-octahydroindolizine-2-carbonyl)piperazin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199022
2-amino-6-fluoro-N-[5-fluoro-4-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199034
2-amino-6-fluoro-N-[5-fluoro-4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199048
2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199054
2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199092
2-amino-6-fluoro-N-[5-fluoro-4-[4-[(1-methylazetidin-3-yl)carbamoyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199095

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158557357) is 2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is [2H]C1(C(=O)N2C([2H])([2H])C([2H])([2H])N(C3COC3)C([2H])([2H])C2([2H])[2H])CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.[2H]C1([2H])N(C(=O)C2CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C([2H])([2H])C([2H])([2H])N(C2COC2)C1([2H])[2H].[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(C(=O)C2CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1([2H])[2H].
What is the InChIKey of 2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HQLMPNMRZYRQTH-SFITVLBFSA-N. The full InChI is InChI=1S/2C25H29F2N9O3.C22H25F2N9O2/c2*26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17;23-14-9-28-20-17(19(25)30-33(20)12-14)21(34)29-16-11-27-10-15(24)18(16)31-5-1-13(2-6-31)22(35)32-7-3-26-4-8-32/h2*9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37);9-13,26H,1-8H2,(H2,25,30)(H,29,34)/i5D2,6D2,7D2,8D2,15D;5D2,6D2,7D2,8D2;3D2,4D2,7D2,8D2.
What are the key properties of 2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1593.78 g/mol, XLogP of 2.88, 14 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[4-deuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158557357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).