N-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide

C23H19ClN6O3S — CID 171095970

IUPACN-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide
SMILESO=C(Nc1cnc(C(=O)N2CC(O)C2)c(Cl)c1)c1snc(-c2cccn3nccc23)c1C1CC1
InChIInChI=1S/C23H19ClN6O3S/c24-16-8-13(9-25-20(16)23(33)29-10-14(31)11-29)27-22(32)21-18(12-3-4-12)19(28-34-21)15-2-1-7-30-17(15)5-6-26-30/h1-2,5-9,12,14,31H,3-4,10-11H2,(H,27,32)
InChIKeyADSJOEJPBTZQGH-UHFFFAOYSA-N
MW494.96 g/mol
LogP3.45
Rot. Bonds5

About N-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide

N-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide (PubChem CID 171095970) has the molecular formula C23H19ClN6O3S and a molecular weight of 494.96 g/mol. Its IUPAC name is N-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide
PubChem CID171095970
Molecular FormulaC23H19ClN6O3S
Molecular Weight494.96 g/mol
Exact Mass494.09
IUPAC NameN-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide
SMILESO=C(Nc1cnc(C(=O)N2CC(O)C2)c(Cl)c1)c1snc(-c2cccn3nccc23)c1C1CC1
InChIInChI=1S/C23H19ClN6O3S/c24-16-8-13(9-25-20(16)23(33)29-10-14(31)11-29)27-22(32)21-18(12-3-4-12)19(28-34-21)15-2-1-7-30-17(15)5-6-26-30/h1-2,5-9,12,14,31H,3-4,10-11H2,(H,27,32)
InChIKeyADSJOEJPBTZQGH-UHFFFAOYSA-N
XLogP3.45
TPSA112.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.96
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide (CID 171095970) is N-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide is O=C(Nc1cnc(C(=O)N2CC(O)C2)c(Cl)c1)c1snc(-c2cccn3nccc23)c1C1CC1.
What is the InChIKey of N-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide?
The InChIKey is ADSJOEJPBTZQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O3S/c24-16-8-13(9-25-20(16)23(33)29-10-14(31)11-29)27-22(32)21-18(12-3-4-12)19(28-34-21)15-2-1-7-30-17(15)5-6-26-30/h1-2,5-9,12,14,31H,3-4,10-11H2,(H,27,32).
What are the key properties of N-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide?
N-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide has a molecular weight of 494.96 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 171095970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).