N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride

C25H28ClN5O3 — CID 44535209

IUPACN-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4cc5cccnc5[nH]4)CC3)c2c1.Cl
InChIInChI=1S/C25H27N5O3.ClH/c1-33-18-4-5-21-20(14-18)19(6-10-26-21)23(31)15-30-11-7-17(8-12-30)28-25(32)22-13-16-3-2-9-27-24(16)29-22;/h2-6,9-10,13-14,17,23,31H,7-8,11-12,15H2,1H3,(H,27,29)(H,28,32);1H/t23-;/m0./s1
InChIKeyVQMDEYGVHQGQHO-BQAIUKQQSA-N
MW481.98 g/mol
LogP3.47
Rot. Bonds6

About N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride

N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride (PubChem CID 44535209) has the molecular formula C25H28ClN5O3 and a molecular weight of 481.98 g/mol. Its IUPAC name is N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride
PubChem CID44535209
Molecular FormulaC25H28ClN5O3
Molecular Weight481.98 g/mol
Exact Mass481.19
IUPAC NameN-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4cc5cccnc5[nH]4)CC3)c2c1.Cl
InChIInChI=1S/C25H27N5O3.ClH/c1-33-18-4-5-21-20(14-18)19(6-10-26-21)23(31)15-30-11-7-17(8-12-30)28-25(32)22-13-16-3-2-9-27-24(16)29-22;/h2-6,9-10,13-14,17,23,31H,7-8,11-12,15H2,1H3,(H,27,29)(H,28,32);1H/t23-;/m0./s1
InChIKeyVQMDEYGVHQGQHO-BQAIUKQQSA-N
XLogP3.47
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride (CID 44535209) is N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride is COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4cc5cccnc5[nH]4)CC3)c2c1.Cl.
What is the InChIKey of N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride?
The InChIKey is VQMDEYGVHQGQHO-BQAIUKQQSA-N. The full InChI is InChI=1S/C25H27N5O3.ClH/c1-33-18-4-5-21-20(14-18)19(6-10-26-21)23(31)15-30-11-7-17(8-12-30)28-25(32)22-13-16-3-2-9-27-24(16)29-22;/h2-6,9-10,13-14,17,23,31H,7-8,11-12,15H2,1H3,(H,27,29)(H,28,32);1H/t23-;/m0./s1.
What are the key properties of N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride?
N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride has a molecular weight of 481.98 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 44535209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).