N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C20H19N5O2 — CID 54765280

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)c1
InChIInChI=1S/C20H19N5O2/c1-12(13-4-3-5-16(8-13)27-2)23-20(26)18-9-14-6-7-17(24-19(14)25-18)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,26)(H,24,25)/t12-/m1/s1
InChIKeyJAWPAUHQCGKVGI-GFCCVEGCSA-N
MW361.41 g/mol
LogP3.45
Rot. Bonds5

About N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 54765280) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID54765280
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)c1
InChIInChI=1S/C20H19N5O2/c1-12(13-4-3-5-16(8-13)27-2)23-20(26)18-9-14-6-7-17(24-19(14)25-18)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,26)(H,24,25)/t12-/m1/s1
InChIKeyJAWPAUHQCGKVGI-GFCCVEGCSA-N
XLogP3.45
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 54765280) is N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is COc1cccc([C@@H](C)NC(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is JAWPAUHQCGKVGI-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12(13-4-3-5-16(8-13)27-2)23-20(26)18-9-14-6-7-17(24-19(14)25-18)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,26)(H,24,25)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 54765280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).