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

C26H33N7O2 — CID 146188545

IUPAC3-acetyl-1-cyclopentyl-7-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one
SMILESCC(=O)c1c(C)c2cnc(Nc3cnc(N4CCN(C)[C@@H](C)C4)cn3)cc2n(C2CCCC2)c1=O
InChIInChI=1S/C26H33N7O2/c1-16-15-32(10-9-31(16)4)24-14-28-23(13-29-24)30-22-11-21-20(12-27-22)17(2)25(18(3)34)26(35)33(21)19-7-5-6-8-19/h11-14,16,19H,5-10,15H2,1-4H3,(H,27,28,30)/t16-/m0/s1
InChIKeyIJTQCMKVQYCKFI-INIZCTEOSA-N
MW475.60 g/mol
LogP3.70
Rot. Bonds5

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

3-acetyl-1-cyclopentyl-7-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one (PubChem CID 146188545) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 3-acetyl-1-cyclopentyl-7-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-cyclopentyl-7-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one
PubChem CID146188545
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Name3-acetyl-1-cyclopentyl-7-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one
SMILESCC(=O)c1c(C)c2cnc(Nc3cnc(N4CCN(C)[C@@H](C)C4)cn3)cc2n(C2CCCC2)c1=O
InChIInChI=1S/C26H33N7O2/c1-16-15-32(10-9-31(16)4)24-14-28-23(13-29-24)30-22-11-21-20(12-27-22)17(2)25(18(3)34)26(35)33(21)19-7-5-6-8-19/h11-14,16,19H,5-10,15H2,1-4H3,(H,27,28,30)/t16-/m0/s1
InChIKeyIJTQCMKVQYCKFI-INIZCTEOSA-N
XLogP3.70
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.70
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-[(3S)-3,4-dimethylpiperazin-1-yl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-acetyl-1-cyclopentyl-7-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one (CID 146188545) is 3-acetyl-1-cyclopentyl-7-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-acetyl-1-cyclopentyl-7-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-acetyl-1-cyclopentyl-7-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one is CC(=O)c1c(C)c2cnc(Nc3cnc(N4CCN(C)[C@@H](C)C4)cn3)cc2n(C2CCCC2)c1=O.
What is the InChIKey of 3-acetyl-1-cyclopentyl-7-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one?
The InChIKey is IJTQCMKVQYCKFI-INIZCTEOSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-16-15-32(10-9-31(16)4)24-14-28-23(13-29-24)30-22-11-21-20(12-27-22)17(2)25(18(3)34)26(35)33(21)19-7-5-6-8-19/h11-14,16,19H,5-10,15H2,1-4H3,(H,27,28,30)/t16-/m0/s1.
What are the key properties of 3-acetyl-1-cyclopentyl-7-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one?
3-acetyl-1-cyclopentyl-7-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one has a molecular weight of 475.60 g/mol, XLogP of 3.70, 5 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-[(3S)-3,4-dimethylpiperazin-1-yl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 146188545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).