N-[1-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide

C22H20FN5O — CID 171835162

IUPACN-[1-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1[nH]ncc1-c1ccc2cc(C(=O)NC3(c4ccccc4F)CC3)n(C)c2n1
InChIInChI=1S/C22H20FN5O/c1-13-15(12-24-27-13)18-8-7-14-11-19(28(2)20(14)25-18)21(29)26-22(9-10-22)16-5-3-4-6-17(16)23/h3-8,11-12H,9-10H2,1-2H3,(H,24,27)(H,26,29)
InChIKeyHPZYUFJIQZIUQP-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.83
Rot. Bonds4

About N-[1-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide

N-[1-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 171835162) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID171835162
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC NameN-[1-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1[nH]ncc1-c1ccc2cc(C(=O)NC3(c4ccccc4F)CC3)n(C)c2n1
InChIInChI=1S/C22H20FN5O/c1-13-15(12-24-27-13)18-8-7-14-11-19(28(2)20(14)25-18)21(29)26-22(9-10-22)16-5-3-4-6-17(16)23/h3-8,11-12H,9-10H2,1-2H3,(H,24,27)(H,26,29)
InChIKeyHPZYUFJIQZIUQP-UHFFFAOYSA-N
XLogP3.83
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[[1-(2-fluoro-4-methoxyphenyl)cyclopropyl]amino]-[1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-2-yl]methanol
CID 174347426
N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 171835103
3-cyclopropyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide
CID 46963795
N-[1-(2-fluorophenyl)cyclopropyl]-6-methylpyridine-2-carboxamide
CID 110462508
3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide
CID 95807138
[(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178095312
5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 119136012
5-benzyl-N-[1-[2-fluoro-4-(1-methyl-6-oxopyrimidin-5-yl)phenyl]cyclopropyl]-1H-1,2,4-triazole-3-carboxamide
CID 166981653
N-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 171835080
N-[1-(2-fluorophenyl)cyclopropyl]propanamide
CID 110477459
2-fluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110444138
3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide
CID 120501299

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide (CID 171835162) is N-[1-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide is Cc1[nH]ncc1-c1ccc2cc(C(=O)NC3(c4ccccc4F)CC3)n(C)c2n1.
What is the InChIKey of N-[1-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is HPZYUFJIQZIUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-13-15(12-24-27-13)18-8-7-14-11-19(28(2)20(14)25-18)21(29)26-22(9-10-22)16-5-3-4-6-17(16)23/h3-8,11-12H,9-10H2,1-2H3,(H,24,27)(H,26,29).
What are the key properties of N-[1-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide?
N-[1-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 171835162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).