4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-4-ylbenzamide

C26H35N7O3 — CID 11283298

IUPAC4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NC2CCNCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C
InChIInChI=1S/C26H35N7O3/c1-16-25(35)32(2)21-15-28-26(31-23(21)33(16)19-6-4-5-7-19)30-20-9-8-17(14-22(20)36-3)24(34)29-18-10-12-27-13-11-18/h8-9,14-16,18-19,27H,4-7,10-13H2,1-3H3,(H,29,34)(H,28,30,31)/t16-/m1/s1
InChIKeyYGQSAYAQCWLSAL-MRXNPFEDSA-N
MW493.61 g/mol
LogP2.82
Rot. Bonds6

About 4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-4-ylbenzamide

4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-4-ylbenzamide (PubChem CID 11283298) has the molecular formula C26H35N7O3 and a molecular weight of 493.61 g/mol. Its IUPAC name is 4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-4-ylbenzamide
PubChem CID11283298
Molecular FormulaC26H35N7O3
Molecular Weight493.61 g/mol
Exact Mass493.28
IUPAC Name4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NC2CCNCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C
InChIInChI=1S/C26H35N7O3/c1-16-25(35)32(2)21-15-28-26(31-23(21)33(16)19-6-4-5-7-19)30-20-9-8-17(14-22(20)36-3)24(34)29-18-10-12-27-13-11-18/h8-9,14-16,18-19,27H,4-7,10-13H2,1-3H3,(H,29,34)(H,28,30,31)/t16-/m1/s1
InChIKeyYGQSAYAQCWLSAL-MRXNPFEDSA-N
XLogP2.82
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-4-ylbenzamide (CID 11283298) is 4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-4-ylbenzamide is COc1cc(C(=O)NC2CCNCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C.
What is the InChIKey of 4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-4-ylbenzamide?
The InChIKey is YGQSAYAQCWLSAL-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H35N7O3/c1-16-25(35)32(2)21-15-28-26(31-23(21)33(16)19-6-4-5-7-19)30-20-9-8-17(14-22(20)36-3)24(34)29-18-10-12-27-13-11-18/h8-9,14-16,18-19,27H,4-7,10-13H2,1-3H3,(H,29,34)(H,28,30,31)/t16-/m1/s1.
What are the key properties of 4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-4-ylbenzamide?
4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-4-ylbenzamide has a molecular weight of 493.61 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 11283298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).