(3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one

C27H35N5O4 — CID 155532175

IUPAC(3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
SMILESCOc1cc(C(=O)N2CCC(O)CC2)ccc1Nc1ccc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C
InChIInChI=1S/C27H35N5O4/c1-17-26(34)30(2)22-10-11-24(29-25(22)32(17)19-6-4-5-7-19)28-21-9-8-18(16-23(21)36-3)27(35)31-14-12-20(33)13-15-31/h8-11,16-17,19-20,33H,4-7,12-15H2,1-3H3,(H,28,29)/t17-/m1/s1
InChIKeyWDUULYPCWOELII-QGZVFWFLSA-N
MW493.61 g/mol
LogP3.54
Rot. Bonds5

About (3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one

(3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 155532175) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is (3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name(3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
PubChem CID155532175
Molecular FormulaC27H35N5O4
Molecular Weight493.61 g/mol
Exact Mass493.27
IUPAC Name(3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
SMILESCOc1cc(C(=O)N2CCC(O)CC2)ccc1Nc1ccc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C
InChIInChI=1S/C27H35N5O4/c1-17-26(34)30(2)22-10-11-24(29-25(22)32(17)19-6-4-5-7-19)28-21-9-8-18(16-23(21)36-3)27(35)31-14-12-20(33)13-15-31/h8-11,16-17,19-20,33H,4-7,12-15H2,1-3H3,(H,28,29)/t17-/m1/s1
InChIKeyWDUULYPCWOELII-QGZVFWFLSA-N
XLogP3.54
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of (3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one (CID 155532175) is (3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for (3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for (3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one is COc1cc(C(=O)N2CCC(O)CC2)ccc1Nc1ccc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C.
What is the InChIKey of (3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is WDUULYPCWOELII-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-17-26(34)30(2)22-10-11-24(29-25(22)32(17)19-6-4-5-7-19)28-21-9-8-18(16-23(21)36-3)27(35)31-14-12-20(33)13-15-31/h8-11,16-17,19-20,33H,4-7,12-15H2,1-3H3,(H,28,29)/t17-/m1/s1.
What are the key properties of (3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
(3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 493.61 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-cyclopentyl-6-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 155532175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).