N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide

C24H35N7O — CID 11633518

IUPACN-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C[C@H](NC(=O)C1CCC(CN)CC1)c1ncc(-c2ccc3c(N)n[nH]c3c2)[nH]1
InChIInChI=1S/C24H35N7O/c1-24(2,3)11-19(29-23(32)15-6-4-14(12-25)5-7-15)22-27-13-20(28-22)16-8-9-17-18(10-16)30-31-21(17)26/h8-10,13-15,19H,4-7,11-12,25H2,1-3H3,(H,27,28)(H,29,32)(H3,26,30,31)/t14?,15?,19-/m0/s1
InChIKeyMREDAGWVKCLVIM-ZOJXTTQQSA-N
MW437.59 g/mol
LogP3.89
Rot. Bonds6

About N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide

N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide (PubChem CID 11633518) has the molecular formula C24H35N7O and a molecular weight of 437.59 g/mol. Its IUPAC name is N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide
PubChem CID11633518
Molecular FormulaC24H35N7O
Molecular Weight437.59 g/mol
Exact Mass437.29
IUPAC NameN-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C[C@H](NC(=O)C1CCC(CN)CC1)c1ncc(-c2ccc3c(N)n[nH]c3c2)[nH]1
InChIInChI=1S/C24H35N7O/c1-24(2,3)11-19(29-23(32)15-6-4-14(12-25)5-7-15)22-27-13-20(28-22)16-8-9-17-18(10-16)30-31-21(17)26/h8-10,13-15,19H,4-7,11-12,25H2,1-3H3,(H,27,28)(H,29,32)(H3,26,30,31)/t14?,15?,19-/m0/s1
InChIKeyMREDAGWVKCLVIM-ZOJXTTQQSA-N
XLogP3.89
TPSA138.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lorecivivint
CID 135565709
Gsk-2334470
CID 46215815
N-[2-(1H-imidazol-4-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 71709695
trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexane-1-carboxamide
CID 11684611
Bms-986299
CID 137498152
Meribendan
CID 65934
(2e)-N-{(1s)-1-[4-(3-Amino-1h-Indazol-6-Yl)-1h-Imidazol-2-Yl]-2-Phenylethyl}-3-[5-Chloro-2-(1h-Tetrazol-1-Yl)phenyl]prop-2-Enamide
CID 90478342
N-{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}-N,3,3-trimethylbutanamide
CID 51354613
2-(4-fluorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53326206
(1R,2S)-1'-methyl-2-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one
CID 58486297
(2S)-6-methyl-N-[(1S)-1-[5-(2-methylindazol-5-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 168298475
N-[6-(1H-pyrrol-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539608

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide (CID 11633518) is N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide is CC(C)(C)C[C@H](NC(=O)C1CCC(CN)CC1)c1ncc(-c2ccc3c(N)n[nH]c3c2)[nH]1.
What is the InChIKey of N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide?
The InChIKey is MREDAGWVKCLVIM-ZOJXTTQQSA-N. The full InChI is InChI=1S/C24H35N7O/c1-24(2,3)11-19(29-23(32)15-6-4-14(12-25)5-7-15)22-27-13-20(28-22)16-8-9-17-18(10-16)30-31-21(17)26/h8-10,13-15,19H,4-7,11-12,25H2,1-3H3,(H,27,28)(H,29,32)(H3,26,30,31)/t14?,15?,19-/m0/s1.
What are the key properties of N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide?
N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 3.89, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-3,3-dimethylbutyl]-4-(aminomethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 11633518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).