N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide

C24H19FN4O2 — CID 146571657

IUPACN-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide
SMILESO=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1cccc(F)c1
InChIInChI=1S/C24H19FN4O2/c25-17-4-1-3-16(11-17)24(31)28-20-6-2-5-18-19(13-27-22(18)20)15-9-10-26-21(12-15)29-23(30)14-7-8-14/h1-6,9-14,27H,7-8H2,(H,28,31)(H,26,29,30)
InChIKeyKESRSOKCKDZICF-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.97
Rot. Bonds5

About N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide

N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide (PubChem CID 146571657) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide
PubChem CID146571657
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC NameN-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide
SMILESO=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1cccc(F)c1
InChIInChI=1S/C24H19FN4O2/c25-17-4-1-3-16(11-17)24(31)28-20-6-2-5-18-19(13-27-22(18)20)15-9-10-26-21(12-15)29-23(30)14-7-8-14/h1-6,9-14,27H,7-8H2,(H,28,31)(H,26,29,30)
InChIKeyKESRSOKCKDZICF-UHFFFAOYSA-N
XLogP4.97
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide
CID 151986572
N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide
CID 146613876
N-(2-amino-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 155516197
N-(4-bromo-2-pyridinyl)-3-fluorobenzamide
CID 3011458
N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide
CID 171559481
3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide
CID 56835141
1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 168926332
3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide
CID 57395186
N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 90465135
N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide
CID 168930169
3-fluoro-N-[2-[[2-[(3-fluorobenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 126273948
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 176572432

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide?
The IUPAC name of N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide (CID 146571657) is N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide?
The canonical SMILES for N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide is O=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1cccc(F)c1.
What is the InChIKey of N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide?
The InChIKey is KESRSOKCKDZICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c25-17-4-1-3-16(11-17)24(31)28-20-6-2-5-18-19(13-27-22(18)20)15-9-10-26-21(12-15)29-23(30)14-7-8-14/h1-6,9-14,27H,7-8H2,(H,28,31)(H,26,29,30).
What are the key properties of N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide?
N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide has a molecular weight of 414.44 g/mol, XLogP of 4.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide is sourced from PubChem (CID 146571657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).