8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine

C27H40FN7 — CID 74334574

IUPAC8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine
SMILESCCC1CN(C)c2cnc(Nc3ccc(CNC4CCN(C)CC4)c(F)c3)nc2N1C1CCCC1
InChIInChI=1S/C27H40FN7/c1-4-22-18-34(3)25-17-30-27(32-26(25)35(22)23-7-5-6-8-23)31-21-10-9-19(24(28)15-21)16-29-20-11-13-33(2)14-12-20/h9-10,15,17,20,22-23,29H,4-8,11-14,16,18H2,1-3H3,(H,30,31,32)
InChIKeyCZJBHDHCEPBTTG-UHFFFAOYSA-N
MW481.66 g/mol
LogP4.52
Rot. Bonds7

About 8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine

8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine (PubChem CID 74334574) has the molecular formula C27H40FN7 and a molecular weight of 481.66 g/mol. Its IUPAC name is 8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine.

Molecular Properties

Compound Name8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine
PubChem CID74334574
Molecular FormulaC27H40FN7
Molecular Weight481.66 g/mol
Exact Mass481.33
IUPAC Name8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine
SMILESCCC1CN(C)c2cnc(Nc3ccc(CNC4CCN(C)CC4)c(F)c3)nc2N1C1CCCC1
InChIInChI=1S/C27H40FN7/c1-4-22-18-34(3)25-17-30-27(32-26(25)35(22)23-7-5-6-8-23)31-21-10-9-19(24(28)15-21)16-29-20-11-13-33(2)14-12-20/h9-10,15,17,20,22-23,29H,4-8,11-14,16,18H2,1-3H3,(H,30,31,32)
InChIKeyCZJBHDHCEPBTTG-UHFFFAOYSA-N
XLogP4.52
TPSA59.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.66
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine 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

(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine
CID 59765793
N-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine
CID 70652812
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-fluoro-N-(1-methylpiperidin-4-yl)benzamide
CID 122187524
4-[[(7R)-8-cyclopentyl-5,7-diethyl-6,7-dihydropteridin-2-yl]amino]-3-methoxybenzoic acid
CID 58009762
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylanilino)-7H-pteridin-6-one
CID 171081916
9-cyclopentyl-7,7-difluoro-2-[4-[hydroxy-[(1-methylpiperidin-4-yl)amino]methyl]anilino]-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 162600338
4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide
CID 171081775
N-cyclohexyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzamide
CID 163503299
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
(7R)-8-cyclopentyl-N-[4-(difluoromethoxy)phenyl]-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine
CID 162554429
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070645
5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide
CID 143563216

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine?
The IUPAC name of 8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine (CID 74334574) is 8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine.
What is the SMILES notation for 8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine?
The canonical SMILES for 8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine is CCC1CN(C)c2cnc(Nc3ccc(CNC4CCN(C)CC4)c(F)c3)nc2N1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine?
The InChIKey is CZJBHDHCEPBTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40FN7/c1-4-22-18-34(3)25-17-30-27(32-26(25)35(22)23-7-5-6-8-23)31-21-10-9-19(24(28)15-21)16-29-20-11-13-33(2)14-12-20/h9-10,15,17,20,22-23,29H,4-8,11-14,16,18H2,1-3H3,(H,30,31,32).
What are the key properties of 8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine?
8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine has a molecular weight of 481.66 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine is sourced from PubChem (CID 74334574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).