1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-2-one

C27H35N5O3S — CID 174893344

IUPAC1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-2-one
SMILESCc1cc(=O)n(C2CCCC2)c2cc(Nc3ccc(C4CCN(CCS(C)(=O)=O)CC4)cn3)ncc12
InChIInChI=1S/C27H35N5O3S/c1-19-15-27(33)32(22-5-3-4-6-22)24-16-26(29-18-23(19)24)30-25-8-7-21(17-28-25)20-9-11-31(12-10-20)13-14-36(2,34)35/h7-8,15-18,20,22H,3-6,9-14H2,1-2H3,(H,28,29,30)
InChIKeyJXDDPOAXNATTPC-UHFFFAOYSA-N
MW509.68 g/mol
LogP4.18
Rot. Bonds7

About 1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-2-one

1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-2-one (PubChem CID 174893344) has the molecular formula C27H35N5O3S and a molecular weight of 509.68 g/mol. Its IUPAC name is 1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-2-one
PubChem CID174893344
Molecular FormulaC27H35N5O3S
Molecular Weight509.68 g/mol
Exact Mass509.25
IUPAC Name1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-2-one
SMILESCc1cc(=O)n(C2CCCC2)c2cc(Nc3ccc(C4CCN(CCS(C)(=O)=O)CC4)cn3)ncc12
InChIInChI=1S/C27H35N5O3S/c1-19-15-27(33)32(22-5-3-4-6-22)24-16-26(29-18-23(19)24)30-25-8-7-21(17-28-25)20-9-11-31(12-10-20)13-14-36(2,34)35/h7-8,15-18,20,22H,3-6,9-14H2,1-2H3,(H,28,29,30)
InChIKeyJXDDPOAXNATTPC-UHFFFAOYSA-N
XLogP4.18
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.68
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-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 1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-2-one?
The IUPAC name of 1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-2-one (CID 174893344) is 1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-2-one?
The canonical SMILES for 1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-2-one is Cc1cc(=O)n(C2CCCC2)c2cc(Nc3ccc(C4CCN(CCS(C)(=O)=O)CC4)cn3)ncc12.
What is the InChIKey of 1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-2-one?
The InChIKey is JXDDPOAXNATTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3S/c1-19-15-27(33)32(22-5-3-4-6-22)24-16-26(29-18-23(19)24)30-25-8-7-21(17-28-25)20-9-11-31(12-10-20)13-14-36(2,34)35/h7-8,15-18,20,22H,3-6,9-14H2,1-2H3,(H,28,29,30).
What are the key properties of 1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-2-one?
1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-2-one has a molecular weight of 509.68 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methyl-7-[[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-pyridinyl]amino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 174893344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).