6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one

C21H25N5O2 — CID 92596179

IUPAC6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
SMILESCc1nn(CC(=O)N2CCC[C@H](c3cc4cccnc4c(=O)[nH]3)C2)c(C)c1C
InChIInChI=1S/C21H25N5O2/c1-13-14(2)24-26(15(13)3)12-19(27)25-9-5-7-17(11-25)18-10-16-6-4-8-22-20(16)21(28)23-18/h4,6,8,10,17H,5,7,9,11-12H2,1-3H3,(H,23,28)/t17-/m0/s1
InChIKeyVQKDTPRACSFUKM-KRWDZBQOSA-N
MW379.46 g/mol
LogP2.45
Rot. Bonds3

About 6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one

6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one (PubChem CID 92596179) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
PubChem CID92596179
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
SMILESCc1nn(CC(=O)N2CCC[C@H](c3cc4cccnc4c(=O)[nH]3)C2)c(C)c1C
InChIInChI=1S/C21H25N5O2/c1-13-14(2)24-26(15(13)3)12-19(27)25-9-5-7-17(11-25)18-10-16-6-4-8-22-20(16)21(28)23-18/h4,6,8,10,17H,5,7,9,11-12H2,1-3H3,(H,23,28)/t17-/m0/s1
InChIKeyVQKDTPRACSFUKM-KRWDZBQOSA-N
XLogP2.45
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
CID 110224900
6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
CID 92572228
2-(dimethylamino)-7-[1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92596165
3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 92610992
2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136664782
2-(dimethylamino)-7-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 110218815
N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433208
1-methyl-4-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110234485
(5R)-3-methyl-5-[2-oxo-2-[(3S)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 92607674
6-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-7H-1,7-naphthyridin-8-one
CID 92572249
5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214564
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one?
The IUPAC name of 6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one (CID 92596179) is 6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one.
What is the SMILES notation for 6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one?
The canonical SMILES for 6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one is Cc1nn(CC(=O)N2CCC[C@H](c3cc4cccnc4c(=O)[nH]3)C2)c(C)c1C.
What is the InChIKey of 6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one?
The InChIKey is VQKDTPRACSFUKM-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13-14(2)24-26(15(13)3)12-19(27)25-9-5-7-17(11-25)18-10-16-6-4-8-22-20(16)21(28)23-18/h4,6,8,10,17H,5,7,9,11-12H2,1-3H3,(H,23,28)/t17-/m0/s1.
What are the key properties of 6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one?
6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one has a molecular weight of 379.46 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one is sourced from PubChem (CID 92596179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).