4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide

C32H44N6O3 — CID 155546815

IUPAC4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide
SMILESC[C@@H]1C(=O)N(C)c2ccc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC3CCCC3)nc2N1C1CCCC1
InChIInChI=1S/C32H44N6O3/c1-21-32(40)37(3)27-14-15-29(35-30(27)38(21)24-8-4-5-9-24)34-26-13-12-22(20-28(26)41-25-10-6-7-11-25)31(39)33-23-16-18-36(2)19-17-23/h12-15,20-21,23-25H,4-11,16-19H2,1-3H3,(H,33,39)(H,34,35)/t21-/m1/s1
InChIKeyVZKANYDYIVJBAM-OAQYLSRUSA-N
MW560.74 g/mol
LogP5.08
Rot. Bonds7

About 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide

4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 155546815) has the molecular formula C32H44N6O3 and a molecular weight of 560.74 g/mol. Its IUPAC name is 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID155546815
Molecular FormulaC32H44N6O3
Molecular Weight560.74 g/mol
Exact Mass560.35
IUPAC Name4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide
SMILESC[C@@H]1C(=O)N(C)c2ccc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC3CCCC3)nc2N1C1CCCC1
InChIInChI=1S/C32H44N6O3/c1-21-32(40)37(3)27-14-15-29(35-30(27)38(21)24-8-4-5-9-24)34-26-13-12-22(20-28(26)41-25-10-6-7-11-25)31(39)33-23-16-18-36(2)19-17-23/h12-15,20-21,23-25H,4-11,16-19H2,1-3H3,(H,33,39)(H,34,35)/t21-/m1/s1
InChIKeyVZKANYDYIVJBAM-OAQYLSRUSA-N
XLogP5.08
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.74
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide (CID 155546815) is 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide is C[C@@H]1C(=O)N(C)c2ccc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC3CCCC3)nc2N1C1CCCC1.
What is the InChIKey of 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is VZKANYDYIVJBAM-OAQYLSRUSA-N. The full InChI is InChI=1S/C32H44N6O3/c1-21-32(40)37(3)27-14-15-29(35-30(27)38(21)24-8-4-5-9-24)34-26-13-12-22(20-28(26)41-25-10-6-7-11-25)31(39)33-23-16-18-36(2)19-17-23/h12-15,20-21,23-25H,4-11,16-19H2,1-3H3,(H,33,39)(H,34,35)/t21-/m1/s1.
What are the key properties of 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide?
4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 560.74 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 155546815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).