(7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde

C20H26N6O — CID 175277070

IUPAC(7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde
SMILES[H]N=c1ccn(-c2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(C=O)N3C)cc1
InChIInChI=1S/C20H26N6O/c1-3-16-18(13-27)24(2)17-12-22-20(25-10-8-14(21)9-11-25)23-19(17)26(16)15-6-4-5-7-15/h8-13,15-16,18,21H,3-7H2,1-2H3/t16-,18?/m1/s1
InChIKeyVASFGJDROGXYTO-PYUWXLGESA-N
MW366.47 g/mol
LogP2.29
Rot. Bonds4

About (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde

(7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde (PubChem CID 175277070) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde.

Molecular Properties

Compound Name(7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde
PubChem CID175277070
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name(7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde
SMILES[H]N=c1ccn(-c2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(C=O)N3C)cc1
InChIInChI=1S/C20H26N6O/c1-3-16-18(13-27)24(2)17-12-22-20(25-10-8-14(21)9-11-25)23-19(17)26(16)15-6-4-5-7-15/h8-13,15-16,18,21H,3-7H2,1-2H3/t16-,18?/m1/s1
InChIKeyVASFGJDROGXYTO-PYUWXLGESA-N
XLogP2.29
TPSA78.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde 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

8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 175275366
8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde
CID 174662579
8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 174613449
2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 174623114
(7R)-2-chloro-8-cyclopentyl-7-cyclopropyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 174565816
8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
CID 67261461
7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde
CID 174674451
8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol
CID 174310496
1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 67261357
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405488
7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde
CID 174662633
(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405723

Frequently Asked Questions

What is the IUPAC name of (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The IUPAC name of (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde (CID 175277070) is (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde.
What is the SMILES notation for (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The canonical SMILES for (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde is [H]N=c1ccn(-c2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(C=O)N3C)cc1.
What is the InChIKey of (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The InChIKey is VASFGJDROGXYTO-PYUWXLGESA-N. The full InChI is InChI=1S/C20H26N6O/c1-3-16-18(13-27)24(2)17-12-22-20(25-10-8-14(21)9-11-25)23-19(17)26(16)15-6-4-5-7-15/h8-13,15-16,18,21H,3-7H2,1-2H3/t16-,18?/m1/s1.
What are the key properties of (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
(7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde has a molecular weight of 366.47 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde is sourced from PubChem (CID 175277070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).