4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide

C36H48N10O2 — CID 59252143

IUPAC4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide
SMILESCC[C@@H]1c2c(C#N)ncn2-c2cnc(Nc3ccc(C(=O)NC4CCC(N5CCN(CC)CC5)CC4)cc3OC)nc2N1C1CCCC1
InChIInChI=1S/C36H48N10O2/c1-4-30-33-29(21-37)39-23-45(33)31-22-38-36(42-34(31)46(30)27-8-6-7-9-27)41-28-15-10-24(20-32(28)48-3)35(47)40-25-11-13-26(14-12-25)44-18-16-43(5-2)17-19-44/h10,15,20,22-23,25-27,30H,4-9,11-14,16-19H2,1-3H3,(H,40,47)(H,38,41,42)/t25?,26?,30-/m1/s1
InChIKeyWBGGXGAEPXWJOX-GCPOPKDISA-N
MW652.85 g/mol
LogP5.18
Rot. Bonds9

About 4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide

4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide (PubChem CID 59252143) has the molecular formula C36H48N10O2 and a molecular weight of 652.85 g/mol. Its IUPAC name is 4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide
PubChem CID59252143
Molecular FormulaC36H48N10O2
Molecular Weight652.85 g/mol
Exact Mass652.40
IUPAC Name4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide
SMILESCC[C@@H]1c2c(C#N)ncn2-c2cnc(Nc3ccc(C(=O)NC4CCC(N5CCN(CC)CC5)CC4)cc3OC)nc2N1C1CCCC1
InChIInChI=1S/C36H48N10O2/c1-4-30-33-29(21-37)39-23-45(33)31-22-38-36(42-34(31)46(30)27-8-6-7-9-27)41-28-15-10-24(20-32(28)48-3)35(47)40-25-11-13-26(14-12-25)44-18-16-43(5-2)17-19-44/h10,15,20,22-23,25-27,30H,4-9,11-14,16-19H2,1-3H3,(H,40,47)(H,38,41,42)/t25?,26?,30-/m1/s1
InChIKeyWBGGXGAEPXWJOX-GCPOPKDISA-N
XLogP5.18
TPSA127.47 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500652.85
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide 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

4-[(7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-2-fluorobenzamide
CID 68663658
4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxy-N-[4-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]benzamide
CID 59252172
4-[(7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl)amino]-2-fluoro-5-methoxy-N-[4-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]benzamide
CID 68572726
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methoxybenzamide
CID 59139944
4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-methoxybenzamide
CID 11549087
tert-butyl 4-[[4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzoyl]amino]piperidine-1-carboxylate
CID 68970010
(2R)-2-amino-4-[4-[[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoyl]amino]piperidin-1-yl]butanoic acid
CID 66670410
lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide
CID 155697934
4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[(2R)-2-(cyclopropylmethyl)-1-piperidin-4-ylpiperidin-4-yl]-2-fluoro-5-methoxybenzamide
CID 68571913
4-[(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)amino]-3-methoxy-N-methylbenzamide
CID 66672556
(2S)-2-cyclohexyl-2-[2-[4-[[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoyl]amino]piperidin-1-yl]ethylcarbamoylamino]acetic acid
CID 59139946
4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-ethylpiperidin-4-yl)-3-methoxybenzamide
CID 42610856

Frequently Asked Questions

What is the IUPAC name of 4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide?
The IUPAC name of 4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide (CID 59252143) is 4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide.
What is the SMILES notation for 4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide?
The canonical SMILES for 4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide is CC[C@@H]1c2c(C#N)ncn2-c2cnc(Nc3ccc(C(=O)NC4CCC(N5CCN(CC)CC5)CC4)cc3OC)nc2N1C1CCCC1.
What is the InChIKey of 4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide?
The InChIKey is WBGGXGAEPXWJOX-GCPOPKDISA-N. The full InChI is InChI=1S/C36H48N10O2/c1-4-30-33-29(21-37)39-23-45(33)31-22-38-36(42-34(31)46(30)27-8-6-7-9-27)41-28-15-10-24(20-32(28)48-3)35(47)40-25-11-13-26(14-12-25)44-18-16-43(5-2)17-19-44/h10,15,20,22-23,25-27,30H,4-9,11-14,16-19H2,1-3H3,(H,40,47)(H,38,41,42)/t25?,26?,30-/m1/s1.
What are the key properties of 4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide?
4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide has a molecular weight of 652.85 g/mol, XLogP of 5.18, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6R)-7-cyano-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-[4-(4-ethylpiperazin-1-yl)cyclohexyl]-3-methoxybenzamide is sourced from PubChem (CID 59252143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).