2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H28F2N8O3 — CID 130279892

IUPAC2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)Nc1cncc(F)c1N1CCN(C(=O)C2COC2)CC1
InChIInChI=1S/C20H28F2N8O3/c21-12-5-25-18-15(17(23)27-30(18)8-12)19(31)26-14-7-24-6-13(22)16(14)28-1-3-29(4-2-28)20(32)11-9-33-10-11/h6-7,11-12,15,17-18,25,27H,1-5,8-10,23H2,(H,26,31)
InChIKeyDOIKTOCVTRIMGF-UHFFFAOYSA-N
MW466.49 g/mol
LogP-1.56
Rot. Bonds4

About 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 130279892) has the molecular formula C20H28F2N8O3 and a molecular weight of 466.49 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID130279892
Molecular FormulaC20H28F2N8O3
Molecular Weight466.49 g/mol
Exact Mass466.23
IUPAC Name2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)Nc1cncc(F)c1N1CCN(C(=O)C2COC2)CC1
InChIInChI=1S/C20H28F2N8O3/c21-12-5-25-18-15(17(23)27-30(18)8-12)19(31)26-14-7-24-6-13(22)16(14)28-1-3-29(4-2-28)20(32)11-9-33-10-11/h6-7,11-12,15,17-18,25,27H,1-5,8-10,23H2,(H,26,31)
InChIKeyDOIKTOCVTRIMGF-UHFFFAOYSA-N
XLogP-1.56
TPSA128.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

2-amino-N-[4-[4-(azetidine-3-carbonyl)piperazin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130280280
2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130280148
2-amino-6-fluoro-N-[5-fluoro-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130280136
2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90212165
2-amino-6-fluoro-N-[5-fluoro-4-[4-[(4-methyl-3-oxopiperazin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130279891
2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130280104
2-amino-6-fluoro-N-[4-(2-oxo-1H-pyridin-3-yl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130279942
2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90212124
3-amino-N-[4-[4-(1,2,3,5,6,7,8,8a-octahydroindolizine-2-carbonyl)piperazin-1-yl]-5-fluoro-3-pyridinyl]-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitrosopropanamide
CID 90212022
9-amino-4-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]-1,2-dioxido-6-aza-1,2-diazoniabicyclo[5.2.1]deca-3,5,7(10)-triene-8-carboxamide
CID 163598250
3-amino-N-[4-[4-(1-azabicyclo[2.2.2]octane-4-carbonyl)piperazin-1-yl]-5-fluoro-3-pyridinyl]-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitrosopropanamide
CID 129134039
3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[5-fluoro-4-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-3-nitrosopropanamide
CID 129134507

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 130279892) is 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(F)CNC2C1C(=O)Nc1cncc(F)c1N1CCN(C(=O)C2COC2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DOIKTOCVTRIMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N8O3/c21-12-5-25-18-15(17(23)27-30(18)8-12)19(31)26-14-7-24-6-13(22)16(14)28-1-3-29(4-2-28)20(32)11-9-33-10-11/h6-7,11-12,15,17-18,25,27H,1-5,8-10,23H2,(H,26,31).
What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 466.49 g/mol, XLogP of -1.56, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 130279892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).