N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C21H19N5O2 — CID 67107128

IUPACN-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(c1cc2ccc(-c3cn[nH]c3)nc2[nH]1)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C21H19N5O2/c27-17-3-1-2-13(8-17)12-26(16-5-6-16)21(28)19-9-14-4-7-18(24-20(14)25-19)15-10-22-23-11-15/h1-4,7-11,16,27H,5-6,12H2,(H,22,23)(H,24,25)
InChIKeyWLIGYHSIFHBQJT-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.46
Rot. Bonds5

About N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 67107128) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID67107128
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(c1cc2ccc(-c3cn[nH]c3)nc2[nH]1)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C21H19N5O2/c27-17-3-1-2-13(8-17)12-26(16-5-6-16)21(28)19-9-14-4-7-18(24-20(14)25-19)15-10-22-23-11-15/h1-4,7-11,16,27H,5-6,12H2,(H,22,23)(H,24,25)
InChIKeyWLIGYHSIFHBQJT-UHFFFAOYSA-N
XLogP3.46
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 67108151
[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178095379
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 63086101
N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 122131882
5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
CID 62954767
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178094996
chlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178095343
N-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide
CID 121499615
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70750734
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
CID 114997619

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 67107128) is N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(c1cc2ccc(-c3cn[nH]c3)nc2[nH]1)N(Cc1cccc(O)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is WLIGYHSIFHBQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c27-17-3-1-2-13(8-17)12-26(16-5-6-16)21(28)19-9-14-4-7-18(24-20(14)25-19)15-10-22-23-11-15/h1-4,7-11,16,27H,5-6,12H2,(H,22,23)(H,24,25).
What are the key properties of N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 67107128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).