3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one

C27H35N7O2 — CID 175631027

IUPAC3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one
SMILESCC(=O)c1c(C)c2cnc(Nc3cnc(CN4CCN(C)C(C)C4)cn3)cc2n(C2CCCC2)c1=O
InChIInChI=1S/C27H35N7O2/c1-17-15-33(10-9-32(17)4)16-20-12-29-25(14-28-20)31-24-11-23-22(13-30-24)18(2)26(19(3)35)27(36)34(23)21-7-5-6-8-21/h11-14,17,21H,5-10,15-16H2,1-4H3,(H,29,30,31)
InChIKeyRQNLLQKNSYHNBP-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.69
Rot. Bonds6

About 3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one

3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one (PubChem CID 175631027) has the molecular formula C27H35N7O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one
PubChem CID175631027
Molecular FormulaC27H35N7O2
Molecular Weight489.62 g/mol
Exact Mass489.29
IUPAC Name3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one
SMILESCC(=O)c1c(C)c2cnc(Nc3cnc(CN4CCN(C)C(C)C4)cn3)cc2n(C2CCCC2)c1=O
InChIInChI=1S/C27H35N7O2/c1-17-15-33(10-9-32(17)4)16-20-12-29-25(14-28-20)31-24-11-23-22(13-30-24)18(2)26(19(3)35)27(36)34(23)21-7-5-6-8-21/h11-14,17,21H,5-10,15-16H2,1-4H3,(H,29,30,31)
InChIKeyRQNLLQKNSYHNBP-UHFFFAOYSA-N
XLogP3.69
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one (CID 175631027) is 3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one is CC(=O)c1c(C)c2cnc(Nc3cnc(CN4CCN(C)C(C)C4)cn3)cc2n(C2CCCC2)c1=O.
What is the InChIKey of 3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one?
The InChIKey is RQNLLQKNSYHNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2/c1-17-15-33(10-9-32(17)4)16-20-12-29-25(14-28-20)31-24-11-23-22(13-30-24)18(2)26(19(3)35)27(36)34(23)21-7-5-6-8-21/h11-14,17,21H,5-10,15-16H2,1-4H3,(H,29,30,31).
What are the key properties of 3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one?
3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one has a molecular weight of 489.62 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 175631027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).