4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide

C29H43N7O3 — CID 171081775

IUPAC4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide
SMILESCCC1CN(C)c2cnc(Nc3ccc(C(=O)NCCOC4CCNCC4)cc3OC)nc2N1C1CCCC1
InChIInChI=1S/C29H43N7O3/c1-4-21-19-35(2)25-18-32-29(34-27(25)36(21)22-7-5-6-8-22)33-24-10-9-20(17-26(24)38-3)28(37)31-15-16-39-23-11-13-30-14-12-23/h9-10,17-18,21-23,30H,4-8,11-16,19H2,1-3H3,(H,31,37)(H,32,33,34)
InChIKeyWEVQAWWFDULQPJ-UHFFFAOYSA-N
MW537.71 g/mol
LogP3.70
Rot. Bonds10

About 4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide

4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide (PubChem CID 171081775) has the molecular formula C29H43N7O3 and a molecular weight of 537.71 g/mol. Its IUPAC name is 4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide.

Molecular Properties

Compound Name4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide
PubChem CID171081775
Molecular FormulaC29H43N7O3
Molecular Weight537.71 g/mol
Exact Mass537.34
IUPAC Name4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide
SMILESCCC1CN(C)c2cnc(Nc3ccc(C(=O)NCCOC4CCNCC4)cc3OC)nc2N1C1CCCC1
InChIInChI=1S/C29H43N7O3/c1-4-21-19-35(2)25-18-32-29(34-27(25)36(21)22-7-5-6-8-22)33-24-10-9-20(17-26(24)38-3)28(37)31-15-16-39-23-11-13-30-14-12-23/h9-10,17-18,21-23,30H,4-8,11-16,19H2,1-3H3,(H,31,37)(H,32,33,34)
InChIKeyWEVQAWWFDULQPJ-UHFFFAOYSA-N
XLogP3.70
TPSA103.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.71
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide 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-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxy-N-[2-(4-piperidin-4-yloxybutoxy)ethyl]benzamide
CID 171081819
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-[2-(4-piperidin-4-yloxybutoxy)ethyl]benzamide
CID 171081470
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-[4-(2-piperidin-4-yloxyethoxy)butyl]benzamide
CID 171081617
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-[3-[4-(3-piperidin-4-yloxypropyl)piperazin-1-yl]propyl]benzamide
CID 171081480
4-[[(7R)-8-cyclopentyl-5,7-diethyl-6,7-dihydropteridin-2-yl]amino]-3-methoxybenzoic acid
CID 58009762
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(3-piperidin-4-yloxycyclobutyl)benzamide
CID 171081717
4-[(2-cyclopentyl-9-methyl-8-oxo-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-13-yl)amino]-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 66746048
tert-butyl 4-[5-[2-[[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoyl]amino]ethoxy]pentoxy]piperidine-1-carboxylate
CID 171081747
tert-butyl 4-[4-[[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoyl]amino]-3,3-dimethylbutoxy]piperidine-1-carboxylate
CID 171081787
2-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(5-piperidin-4-yloxypentyl)benzamide
CID 175989126
(7R)-2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-2-methoxyanilino]-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
CID 171081944
(7R)-8-cyclopentyl-7-ethyl-2-[2-methoxy-4-[1-(piperidin-4-ylamino)ethenyl]anilino]-5-methyl-7H-pteridin-6-one
CID 89133996

Frequently Asked Questions

What is the IUPAC name of 4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide?
The IUPAC name of 4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide (CID 171081775) is 4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide.
What is the SMILES notation for 4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide?
The canonical SMILES for 4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide is CCC1CN(C)c2cnc(Nc3ccc(C(=O)NCCOC4CCNCC4)cc3OC)nc2N1C1CCCC1.
What is the InChIKey of 4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide?
The InChIKey is WEVQAWWFDULQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N7O3/c1-4-21-19-35(2)25-18-32-29(34-27(25)36(21)22-7-5-6-8-22)33-24-10-9-20(17-26(24)38-3)28(37)31-15-16-39-23-11-13-30-14-12-23/h9-10,17-18,21-23,30H,4-8,11-16,19H2,1-3H3,(H,31,37)(H,32,33,34).
What are the key properties of 4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide?
4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide has a molecular weight of 537.71 g/mol, XLogP of 3.70, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide is sourced from PubChem (CID 171081775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).