8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde

C24H40N6O2 — CID 174613449

IUPAC8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde
SMILESCCC1C(C=O)N(C)c2cnc(NC(C)C3CCN(CCO)CC3)nc2N1C1CCCC1
InChIInChI=1S/C24H40N6O2/c1-4-20-22(16-32)28(3)21-15-25-24(27-23(21)30(20)19-7-5-6-8-19)26-17(2)18-9-11-29(12-10-18)13-14-31/h15-20,22,31H,4-14H2,1-3H3,(H,25,26,27)
InChIKeyOXBYAOLAKVYKMP-UHFFFAOYSA-N
MW444.62 g/mol
LogP2.53
Rot. Bonds8

About 8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde

8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde (PubChem CID 174613449) has the molecular formula C24H40N6O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde.

Molecular Properties

Compound Name8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde
PubChem CID174613449
Molecular FormulaC24H40N6O2
Molecular Weight444.62 g/mol
Exact Mass444.32
IUPAC Name8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde
SMILESCCC1C(C=O)N(C)c2cnc(NC(C)C3CCN(CCO)CC3)nc2N1C1CCCC1
InChIInChI=1S/C24H40N6O2/c1-4-20-22(16-32)28(3)21-15-25-24(27-23(21)30(20)19-7-5-6-8-19)26-17(2)18-9-11-29(12-10-18)13-14-31/h15-20,22,31H,4-14H2,1-3H3,(H,25,26,27)
InChIKeyOXBYAOLAKVYKMP-UHFFFAOYSA-N
XLogP2.53
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[1-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]ethyl]piperidin-1-yl]acetonitrile
CID 87237527
(7R)-2-[1-[1-(2-aminoacetyl)piperidin-4-yl]ethylamino]-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
CID 67016774
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one
CID 67016567
8-cyclopentyl-7-ethyl-2-[[(1S)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]amino]-5-methyl-7H-pteridin-6-one
CID 67016905
(7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 175277070
tert-butyl 4-[1-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 44625023
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
2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 174623114
8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol
CID 174310496
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
(7R)-2-chloro-8-cyclopentyl-7-cyclopropyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 174565816

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The IUPAC name of 8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde (CID 174613449) is 8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde.
What is the SMILES notation for 8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The canonical SMILES for 8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde is CCC1C(C=O)N(C)c2cnc(NC(C)C3CCN(CCO)CC3)nc2N1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The InChIKey is OXBYAOLAKVYKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N6O2/c1-4-20-22(16-32)28(3)21-15-25-24(27-23(21)30(20)19-7-5-6-8-19)26-17(2)18-9-11-29(12-10-18)13-14-31/h15-20,22,31H,4-14H2,1-3H3,(H,25,26,27).
What are the key properties of 8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde has a molecular weight of 444.62 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde is sourced from PubChem (CID 174613449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).