N-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide

C25H27FN6O2 — CID 167522964

IUPACN-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide
SMILESN#CC(NC(=O)C(CC1CC1)NC(=O)C1Cc2cccc(F)c2N1)C1CNNc2ccccc21
InChIInChI=1S/C25H27FN6O2/c26-18-6-3-4-15-11-21(29-23(15)18)25(34)30-20(10-14-8-9-14)24(33)31-22(12-27)17-13-28-32-19-7-2-1-5-16(17)19/h1-7,14,17,20-22,28-29,32H,8-11,13H2,(H,30,34)(H,31,33)
InChIKeyIMKIECYYMDOUEN-UHFFFAOYSA-N
MW462.53 g/mol
LogP2.17
Rot. Bonds7

About N-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide

N-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 167522964) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID167522964
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC NameN-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide
SMILESN#CC(NC(=O)C(CC1CC1)NC(=O)C1Cc2cccc(F)c2N1)C1CNNc2ccccc21
InChIInChI=1S/C25H27FN6O2/c26-18-6-3-4-15-11-21(29-23(15)18)25(34)30-20(10-14-8-9-14)24(33)31-22(12-27)17-13-28-32-19-7-2-1-5-16(17)19/h1-7,14,17,20-22,28-29,32H,8-11,13H2,(H,30,34)(H,31,33)
InChIKeyIMKIECYYMDOUEN-UHFFFAOYSA-N
XLogP2.17
TPSA118.08 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[1-[[cyano(3H-imidazo[4,5-c]pyridin-7-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide
CID 167523082
N-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide
CID 167521445
N-[1-[[cyano(1,2,3,4-tetrahydrophthalazin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 167521541
N-[1-[[cyano(3,4-dihydro-1H-isochromen-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 167522238
N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide
CID 63822321
(2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148995
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006
N-[1-[[1-cyano-2-(2-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 167077021
(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81385786
(2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid
CID 80563771
copper bis(3-sulfanyl-2-[[3-sulfanyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoyl]amino]propanoate)
CID 53389621
(3S)-3-cyano-3-[[(1S)-2-[(2S)-2-[[(2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)-6-oxo-6-propan-2-yloxyhexanoyl]amino]-3-methylbutanoyl]-6-methyl-3,4-dihydro-1H-isoquinoline-1-carbonyl]amino]propanoic acid
CID 176779946

Frequently Asked Questions

What is the IUPAC name of N-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide (CID 167522964) is N-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide is N#CC(NC(=O)C(CC1CC1)NC(=O)C1Cc2cccc(F)c2N1)C1CNNc2ccccc21.
What is the InChIKey of N-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is IMKIECYYMDOUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c26-18-6-3-4-15-11-21(29-23(15)18)25(34)30-20(10-14-8-9-14)24(33)31-22(12-27)17-13-28-32-19-7-2-1-5-16(17)19/h1-7,14,17,20-22,28-29,32H,8-11,13H2,(H,30,34)(H,31,33).
What are the key properties of N-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide?
N-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 2.17, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[cyano(1,2,3,4-tetrahydrocinnolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 167522964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).