3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride

C25H29ClN8O2 — CID 175712983

IUPAC3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1nc(-c2cn[nH]c2)ccc1-c1cc2oc(N3CCCCC3)nc2nc1N1CCCCC1
InChIInChI=1S/C25H28N8O2.ClH/c26-22(34)21-17(7-8-19(29-21)16-14-27-28-15-16)18-13-20-23(30-24(18)32-9-3-1-4-10-32)31-25(35-20)33-11-5-2-6-12-33;/h7-8,13-15H,1-6,9-12H2,(H2,26,34)(H,27,28);1H
InChIKeyGFKHLCMDOJBRPV-UHFFFAOYSA-N
MW509.01 g/mol
LogP4.18
Rot. Bonds5

About 3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride

3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride (PubChem CID 175712983) has the molecular formula C25H29ClN8O2 and a molecular weight of 509.01 g/mol. Its IUPAC name is 3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride
PubChem CID175712983
Molecular FormulaC25H29ClN8O2
Molecular Weight509.01 g/mol
Exact Mass508.21
IUPAC Name3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1nc(-c2cn[nH]c2)ccc1-c1cc2oc(N3CCCCC3)nc2nc1N1CCCCC1
InChIInChI=1S/C25H28N8O2.ClH/c26-22(34)21-17(7-8-19(29-21)16-14-27-28-15-16)18-13-20-23(30-24(18)32-9-3-1-4-10-32)31-25(35-20)33-11-5-2-6-12-33;/h7-8,13-15H,1-6,9-12H2,(H2,26,34)(H,27,28);1H
InChIKeyGFKHLCMDOJBRPV-UHFFFAOYSA-N
XLogP4.18
TPSA130.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.01
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 175918801
5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 175918857
3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 175816595
2-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine
CID 154467408
5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 175918837
piperidin-1-yl-[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methanone
CID 74237335
[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3931667
3-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-2H-1,3-thiazole-4-carboxamide
CID 146563015
N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 126511290
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide;sulfane
CID 160845797
2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
CID 145231697
4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide
CID 68758637

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride (CID 175712983) is 3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride is Cl.NC(=O)c1nc(-c2cn[nH]c2)ccc1-c1cc2oc(N3CCCCC3)nc2nc1N1CCCCC1.
What is the InChIKey of 3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride?
The InChIKey is GFKHLCMDOJBRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2.ClH/c26-22(34)21-17(7-8-19(29-21)16-14-27-28-15-16)18-13-20-23(30-24(18)32-9-3-1-4-10-32)31-25(35-20)33-11-5-2-6-12-33;/h7-8,13-15H,1-6,9-12H2,(H2,26,34)(H,27,28);1H.
What are the key properties of 3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride?
3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 509.01 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 175712983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).