7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride

C24H28ClFN4O3 — CID 67775900

IUPAC7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride
SMILESCc1[nH]c2c(-c3cc(F)ccc3OCC3CC3)ccnc2c1C(=O)N[C@@H]1CCNC[C@@H]1O.Cl
InChIInChI=1S/C24H27FN4O3.ClH/c1-13-21(24(31)29-18-7-8-26-11-19(18)30)23-22(28-13)16(6-9-27-23)17-10-15(25)4-5-20(17)32-12-14-2-3-14;/h4-6,9-10,14,18-19,26,28,30H,2-3,7-8,11-12H2,1H3,(H,29,31);1H/t18-,19+;/m1./s1
InChIKeyAZZUPHYPMJGATD-VOMIJIAVSA-N
MW474.96 g/mol
LogP3.34
Rot. Bonds6

About 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride

7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride (PubChem CID 67775900) has the molecular formula C24H28ClFN4O3 and a molecular weight of 474.96 g/mol. Its IUPAC name is 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride
PubChem CID67775900
Molecular FormulaC24H28ClFN4O3
Molecular Weight474.96 g/mol
Exact Mass474.18
IUPAC Name7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride
SMILESCc1[nH]c2c(-c3cc(F)ccc3OCC3CC3)ccnc2c1C(=O)N[C@@H]1CCNC[C@@H]1O.Cl
InChIInChI=1S/C24H27FN4O3.ClH/c1-13-21(24(31)29-18-7-8-26-11-19(18)30)23-22(28-13)16(6-9-27-23)17-10-15(25)4-5-20(17)32-12-14-2-3-14;/h4-6,9-10,14,18-19,26,28,30H,2-3,7-8,11-12H2,1H3,(H,29,31);1H/t18-,19+;/m1./s1
InChIKeyAZZUPHYPMJGATD-VOMIJIAVSA-N
XLogP3.34
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.96
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride (CID 67775900) is 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride is Cc1[nH]c2c(-c3cc(F)ccc3OCC3CC3)ccnc2c1C(=O)N[C@@H]1CCNC[C@@H]1O.Cl.
What is the InChIKey of 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride?
The InChIKey is AZZUPHYPMJGATD-VOMIJIAVSA-N. The full InChI is InChI=1S/C24H27FN4O3.ClH/c1-13-21(24(31)29-18-7-8-26-11-19(18)30)23-22(28-13)16(6-9-27-23)17-10-15(25)4-5-20(17)32-12-14-2-3-14;/h4-6,9-10,14,18-19,26,28,30H,2-3,7-8,11-12H2,1H3,(H,29,31);1H/t18-,19+;/m1./s1.
What are the key properties of 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride?
7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride has a molecular weight of 474.96 g/mol, XLogP of 3.34, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67775900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).