8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde

C23H31N7O3 — CID 174662579

IUPAC8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde
SMILESCCC1C(C=O)N(C)c2cnc(-n3cnc(C(=O)N4CCOCC4)c3)nc2N1C1CCCC1
InChIInChI=1S/C23H31N7O3/c1-3-18-20(14-31)27(2)19-12-24-23(26-21(19)30(18)16-6-4-5-7-16)29-13-17(25-15-29)22(32)28-8-10-33-11-9-28/h12-16,18,20H,3-11H2,1-2H3
InChIKeyXDBQYPQPMXCTKE-UHFFFAOYSA-N
MW453.55 g/mol
LogP1.68
Rot. Bonds5

About 8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde

8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde (PubChem CID 174662579) has the molecular formula C23H31N7O3 and a molecular weight of 453.55 g/mol. Its IUPAC name is 8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde.

Molecular Properties

Compound Name8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde
PubChem CID174662579
Molecular FormulaC23H31N7O3
Molecular Weight453.55 g/mol
Exact Mass453.25
IUPAC Name8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde
SMILESCCC1C(C=O)N(C)c2cnc(-n3cnc(C(=O)N4CCOCC4)c3)nc2N1C1CCCC1
InChIInChI=1S/C23H31N7O3/c1-3-18-20(14-31)27(2)19-12-24-23(26-21(19)30(18)16-6-4-5-7-16)29-13-17(25-15-29)22(32)28-8-10-33-11-9-28/h12-16,18,20H,3-11H2,1-2H3
InChIKeyXDBQYPQPMXCTKE-UHFFFAOYSA-N
XLogP1.68
TPSA96.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde?
The IUPAC name of 8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde (CID 174662579) is 8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde.
What is the SMILES notation for 8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde?
The canonical SMILES for 8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde is CCC1C(C=O)N(C)c2cnc(-n3cnc(C(=O)N4CCOCC4)c3)nc2N1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde?
The InChIKey is XDBQYPQPMXCTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O3/c1-3-18-20(14-31)27(2)19-12-24-23(26-21(19)30(18)16-6-4-5-7-16)29-13-17(25-15-29)22(32)28-8-10-33-11-9-28/h12-16,18,20H,3-11H2,1-2H3.
What are the key properties of 8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde?
8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde has a molecular weight of 453.55 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde is sourced from PubChem (CID 174662579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).