5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

C17H16ClFN4O — CID 126715298

IUPAC5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESC[C@H]1C[C@@]1(NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1cnn(C)c1
InChIInChI=1S/C17H16ClFN4O/c1-9-6-17(9,10-7-20-23(2)8-10)22-16(24)14-5-11-13(21-14)4-3-12(18)15(11)19/h3-5,7-9,21H,6H2,1-2H3,(H,22,24)/t9-,17-/m0/s1
InChIKeyYMBZNWXNFBOJRU-XYZCENFISA-N
MW346.79 g/mol
LogP3.36
Rot. Bonds3

About 5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 126715298) has the molecular formula C17H16ClFN4O and a molecular weight of 346.79 g/mol. Its IUPAC name is 5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID126715298
Molecular FormulaC17H16ClFN4O
Molecular Weight346.79 g/mol
Exact Mass346.10
IUPAC Name5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESC[C@H]1C[C@@]1(NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1cnn(C)c1
InChIInChI=1S/C17H16ClFN4O/c1-9-6-17(9,10-7-20-23(2)8-10)22-16(24)14-5-11-13(21-14)4-3-12(18)15(11)19/h3-5,7-9,21H,6H2,1-2H3,(H,22,24)/t9-,17-/m0/s1
InChIKeyYMBZNWXNFBOJRU-XYZCENFISA-N
XLogP3.36
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (CID 126715298) is 5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is C[C@H]1C[C@@]1(NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1cnn(C)c1.
What is the InChIKey of 5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is YMBZNWXNFBOJRU-XYZCENFISA-N. The full InChI is InChI=1S/C17H16ClFN4O/c1-9-6-17(9,10-7-20-23(2)8-10)22-16(24)14-5-11-13(21-14)4-3-12(18)15(11)19/h3-5,7-9,21H,6H2,1-2H3,(H,22,24)/t9-,17-/m0/s1.
What are the key properties of 5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 346.79 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 126715298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).