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

C23H27F2N9O2 — CID 90199018

IUPAC2-amino-N-[4-[4-[3-(dimethylamino)azetidine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C1CN(C(=O)C2CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1
InChIInChI=1S/C23H27F2N9O2/c1-31(2)15-11-33(12-15)23(36)13-3-5-32(6-4-13)19-16(25)8-27-9-17(19)29-22(35)18-20(26)30-34-10-14(24)7-28-21(18)34/h7-10,13,15H,3-6,11-12H2,1-2H3,(H2,26,30)(H,29,35)
InChIKeyANSHWUCIMRJEJI-UHFFFAOYSA-N
MW499.53 g/mol
LogP1.23
Rot. Bonds5

About 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

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 (PubChem CID 90199018) has the molecular formula C23H27F2N9O2 and a molecular weight of 499.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-amino-N-[4-[4-[3-(dimethylamino)azetidine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199018
Molecular FormulaC23H27F2N9O2
Molecular Weight499.53 g/mol
Exact Mass499.23
IUPAC Name2-amino-N-[4-[4-[3-(dimethylamino)azetidine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C1CN(C(=O)C2CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1
InChIInChI=1S/C23H27F2N9O2/c1-31(2)15-11-33(12-15)23(36)13-3-5-32(6-4-13)19-16(25)8-27-9-17(19)29-22(35)18-20(26)30-34-10-14(24)7-28-21(18)34/h7-10,13,15H,3-6,11-12H2,1-2H3,(H2,26,30)(H,29,35)
InChIKeyANSHWUCIMRJEJI-UHFFFAOYSA-N
XLogP1.23
TPSA124.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.53
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C1CN(C(=O)C2CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1.
What is the InChIKey of 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?
The InChIKey is ANSHWUCIMRJEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N9O2/c1-31(2)15-11-33(12-15)23(36)13-3-5-32(6-4-13)19-16(25)8-27-9-17(19)29-22(35)18-20(26)30-34-10-14(24)7-28-21(18)34/h7-10,13,15H,3-6,11-12H2,1-2H3,(H2,26,30)(H,29,35).
What are the key properties of 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?
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 has a molecular weight of 499.53 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90199018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).