2-amino-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24ClFN8O — CID 90199541

IUPAC2-amino-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCC(N2CC[C@H](F)C2)CC1
InChIInChI=1S/C21H24ClFN8O/c22-13-9-26-20-18(19(24)28-31(20)11-13)21(32)27-16-10-25-5-1-17(16)29-7-3-15(4-8-29)30-6-2-14(23)12-30/h1,5,9-11,14-15H,2-4,6-8,12H2,(H2,24,28)(H,27,32)/t14-/m0/s1
InChIKeyMAIOMSWUDFKWPY-AWEZNQCLSA-N
MW458.93 g/mol
LogP2.62
Rot. Bonds4

About 2-amino-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199541) has the molecular formula C21H24ClFN8O and a molecular weight of 458.93 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199541
Molecular FormulaC21H24ClFN8O
Molecular Weight458.93 g/mol
Exact Mass458.17
IUPAC Name2-amino-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCC(N2CC[C@H](F)C2)CC1
InChIInChI=1S/C21H24ClFN8O/c22-13-9-26-20-18(19(24)28-31(20)11-13)21(32)27-16-10-25-5-1-17(16)29-7-3-15(4-8-29)30-6-2-14(23)12-30/h1,5,9-11,14-15H,2-4,6-8,12H2,(H2,24,28)(H,27,32)/t14-/m0/s1
InChIKeyMAIOMSWUDFKWPY-AWEZNQCLSA-N
XLogP2.62
TPSA104.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.93
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[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-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199541) is 2-amino-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCC(N2CC[C@H](F)C2)CC1.
What is the InChIKey of 2-amino-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MAIOMSWUDFKWPY-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24ClFN8O/c22-13-9-26-20-18(19(24)28-31(20)11-13)21(32)27-16-10-25-5-1-17(16)29-7-3-15(4-8-29)30-6-2-14(23)12-30/h1,5,9-11,14-15H,2-4,6-8,12H2,(H2,24,28)(H,27,32)/t14-/m0/s1.
What are the key properties of 2-amino-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 458.93 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).