6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one

C22H26ClN5O2 — CID 110224900

IUPAC6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
SMILESCc1nn(CC(C)C(=O)N2CCCC(c3cc4cccnc4c(=O)[nH]3)C2)c(C)c1Cl
InChIInChI=1S/C22H26ClN5O2/c1-13(11-28-15(3)19(23)14(2)26-28)22(30)27-9-5-7-17(12-27)18-10-16-6-4-8-24-20(16)21(29)25-18/h4,6,8,10,13,17H,5,7,9,11-12H2,1-3H3,(H,25,29)
InChIKeySFOFPPYNDLZCPJ-UHFFFAOYSA-N
MW427.94 g/mol
LogP3.43
Rot. Bonds4

About 6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one

6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one (PubChem CID 110224900) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
PubChem CID110224900
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
SMILESCc1nn(CC(C)C(=O)N2CCCC(c3cc4cccnc4c(=O)[nH]3)C2)c(C)c1Cl
InChIInChI=1S/C22H26ClN5O2/c1-13(11-28-15(3)19(23)14(2)26-28)22(30)27-9-5-7-17(12-27)18-10-16-6-4-8-24-20(16)21(29)25-18/h4,6,8,10,13,17H,5,7,9,11-12H2,1-3H3,(H,25,29)
InChIKeySFOFPPYNDLZCPJ-UHFFFAOYSA-N
XLogP3.43
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
CID 92596179
6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
CID 92572228
2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 110234494
N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433208
ethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate
CID 56725387
1-methyl-4-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110234485
6-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-7H-1,7-naphthyridin-8-one
CID 92572249
3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 92610992
(2S)-1-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 92596284
(2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one
CID 92603216
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 155533168
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one?
The IUPAC name of 6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one (CID 110224900) is 6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one.
What is the SMILES notation for 6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one?
The canonical SMILES for 6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one is Cc1nn(CC(C)C(=O)N2CCCC(c3cc4cccnc4c(=O)[nH]3)C2)c(C)c1Cl.
What is the InChIKey of 6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one?
The InChIKey is SFOFPPYNDLZCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-13(11-28-15(3)19(23)14(2)26-28)22(30)27-9-5-7-17(12-27)18-10-16-6-4-8-24-20(16)21(29)25-18/h4,6,8,10,13,17H,5,7,9,11-12H2,1-3H3,(H,25,29).
What are the key properties of 6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one?
6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one has a molecular weight of 427.94 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one is sourced from PubChem (CID 110224900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).