6-cyclopropyl-3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride

C19H24ClN7O2 — CID 120643161

IUPAC6-cyclopropyl-3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
SMILESCc1noc2nc(C3CC3)cc(C(=O)Nc3nc(C4CCNCC4)nn3C)c12.Cl
InChIInChI=1S/C19H23N7O2.ClH/c1-10-15-13(9-14(11-3-4-11)21-18(15)28-25-10)17(27)23-19-22-16(24-26(19)2)12-5-7-20-8-6-12;/h9,11-12,20H,3-8H2,1-2H3,(H,22,23,24,27);1H
InChIKeyACSQHPCWNICOQV-UHFFFAOYSA-N
MW417.90 g/mol
LogP2.68
Rot. Bonds4

About 6-cyclopropyl-3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride

6-cyclopropyl-3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (PubChem CID 120643161) has the molecular formula C19H24ClN7O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 6-cyclopropyl-3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-cyclopropyl-3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
PubChem CID120643161
Molecular FormulaC19H24ClN7O2
Molecular Weight417.90 g/mol
Exact Mass417.17
IUPAC Name6-cyclopropyl-3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
SMILESCc1noc2nc(C3CC3)cc(C(=O)Nc3nc(C4CCNCC4)nn3C)c12.Cl
InChIInChI=1S/C19H23N7O2.ClH/c1-10-15-13(9-14(11-3-4-11)21-18(15)28-25-10)17(27)23-19-22-16(24-26(19)2)12-5-7-20-8-6-12;/h9,11-12,20H,3-8H2,1-2H3,(H,22,23,24,27);1H
InChIKeyACSQHPCWNICOQV-UHFFFAOYSA-N
XLogP2.68
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of 6-cyclopropyl-3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (CID 120643161) is 6-cyclopropyl-3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for 6-cyclopropyl-3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for 6-cyclopropyl-3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is Cc1noc2nc(C3CC3)cc(C(=O)Nc3nc(C4CCNCC4)nn3C)c12.Cl.
What is the InChIKey of 6-cyclopropyl-3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The InChIKey is ACSQHPCWNICOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2.ClH/c1-10-15-13(9-14(11-3-4-11)21-18(15)28-25-10)17(27)23-19-22-16(24-26(19)2)12-5-7-20-8-6-12;/h9,11-12,20H,3-8H2,1-2H3,(H,22,23,24,27);1H.
What are the key properties of 6-cyclopropyl-3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
6-cyclopropyl-3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride has a molecular weight of 417.90 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120643161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).