N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide

C23H34N8O3S — CID 69418875

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide
SMILESCN1CCC(C#N)(NC(=O)C(CC2CCCCC2)Nc2ncn3c(NS(C)(=O)=O)cncc23)CC1
InChIInChI=1S/C23H34N8O3S/c1-30-10-8-23(15-24,9-11-30)28-22(32)18(12-17-6-4-3-5-7-17)27-21-19-13-25-14-20(29-35(2,33)34)31(19)16-26-21/h13-14,16-18,27,29H,3-12H2,1-2H3,(H,28,32)
InChIKeyBOJAQLVYKGEHAQ-UHFFFAOYSA-N
MW502.65 g/mol
LogP1.96
Rot. Bonds8

About N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide

N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide (PubChem CID 69418875) has the molecular formula C23H34N8O3S and a molecular weight of 502.65 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide
PubChem CID69418875
Molecular FormulaC23H34N8O3S
Molecular Weight502.65 g/mol
Exact Mass502.25
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide
SMILESCN1CCC(C#N)(NC(=O)C(CC2CCCCC2)Nc2ncn3c(NS(C)(=O)=O)cncc23)CC1
InChIInChI=1S/C23H34N8O3S/c1-30-10-8-23(15-24,9-11-30)28-22(32)18(12-17-6-4-3-5-7-17)27-21-19-13-25-14-20(29-35(2,33)34)31(19)16-26-21/h13-14,16-18,27,29H,3-12H2,1-2H3,(H,28,32)
InChIKeyBOJAQLVYKGEHAQ-UHFFFAOYSA-N
XLogP1.96
TPSA144.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.65
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide with MolForge

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Related Compounds

N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 22260465
(2S)-N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]propanamide
CID 59040992
ethyl N-[N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-pyrazin-2-ylcarbonimidoyl]carbamate
CID 69417987
[N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-phenylcarbonimidoyl]carbamic acid
CID 22674362
N-[1-[[4-cyano-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 131724467
N-[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]-3-cyclohexyl-2-[(8-oxo-7,9-dihydropurin-6-yl)amino]propanamide
CID 22063220
ethyl N-[C-(azepan-1-yl)-N-[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]carbonimidoyl]carbamate
CID 10277999
N-[3-cyano-1-(cyclohexylmethyl)pyrrolidin-3-yl]-2-(isoquinolin-1-ylamino)-4,4-dimethylpentanamide
CID 91496586
4-cyano-4-[[3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoyl]amino]piperidine-1-carboxylic acid
CID 22063230
N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[(6-fluoro-3-oxoisoindol-1-ylidene)amino]propanamide
CID 135507254
[N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)carbonimidoyl]carbamic acid
CID 150240573
ethyl 4-[(2-amino-3-cyclohexylpropanoyl)amino]-4-cyanopiperidine-1-carboxylate;hydrochloride
CID 69415923

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide (CID 69418875) is N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide is CN1CCC(C#N)(NC(=O)C(CC2CCCCC2)Nc2ncn3c(NS(C)(=O)=O)cncc23)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide?
The InChIKey is BOJAQLVYKGEHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N8O3S/c1-30-10-8-23(15-24,9-11-30)28-22(32)18(12-17-6-4-3-5-7-17)27-21-19-13-25-14-20(29-35(2,33)34)31(19)16-26-21/h13-14,16-18,27,29H,3-12H2,1-2H3,(H,28,32).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide?
N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide has a molecular weight of 502.65 g/mol, XLogP of 1.96, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide is sourced from PubChem (CID 69418875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).