N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

C22H21ClN6OS — CID 67353266

IUPACN-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESN[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1
InChIInChI=1S/C22H21ClN6OS/c23-20-19(15-10-25-29-9-5-4-8-18(15)29)27-22(31-20)21(30)26-17-13-28(12-16(17)24)11-14-6-2-1-3-7-14/h1-10,16-17H,11-13,24H2,(H,26,30)/t16-,17+/m0/s1
InChIKeyLZNLKACCBYJBMB-DLBZAZTESA-N
MW452.97 g/mol
LogP3.05
Rot. Bonds5

About N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 67353266) has the molecular formula C22H21ClN6OS and a molecular weight of 452.97 g/mol. Its IUPAC name is N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
PubChem CID67353266
Molecular FormulaC22H21ClN6OS
Molecular Weight452.97 g/mol
Exact Mass452.12
IUPAC NameN-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESN[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1
InChIInChI=1S/C22H21ClN6OS/c23-20-19(15-10-25-29-9-5-4-8-18(15)29)27-22(31-20)21(30)26-17-13-28(12-16(17)24)11-14-6-2-1-3-7-14/h1-10,16-17H,11-13,24H2,(H,26,30)/t16-,17+/m0/s1
InChIKeyLZNLKACCBYJBMB-DLBZAZTESA-N
XLogP3.05
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.97
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (CID 67353266) is N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is N[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1.
What is the InChIKey of N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The InChIKey is LZNLKACCBYJBMB-DLBZAZTESA-N. The full InChI is InChI=1S/C22H21ClN6OS/c23-20-19(15-10-25-29-9-5-4-8-18(15)29)27-22(31-20)21(30)26-17-13-28(12-16(17)24)11-14-6-2-1-3-7-14/h1-10,16-17H,11-13,24H2,(H,26,30)/t16-,17+/m0/s1.
What are the key properties of N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide has a molecular weight of 452.97 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 67353266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).