2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide

C22H23N7OS — CID 138589819

IUPAC2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc3nc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)s1
InChIInChI=1S/C22H23N7OS/c1-14-23-12-20(31-14)22(30)27-21-9-19-15(10-24-21)3-4-18(26-19)16-11-25-29(13-16)17-5-7-28(2)8-6-17/h3-4,9-13,17H,5-8H2,1-2H3,(H,24,27,30)
InChIKeyHZZBVKNPSZFYKE-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.78
Rot. Bonds4

About 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide

2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide (PubChem CID 138589819) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide
PubChem CID138589819
Molecular FormulaC22H23N7OS
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC Name2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc3nc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)s1
InChIInChI=1S/C22H23N7OS/c1-14-23-12-20(31-14)22(30)27-21-9-19-15(10-24-21)3-4-18(26-19)16-11-25-29(13-16)17-5-7-28(2)8-6-17/h3-4,9-13,17H,5-8H2,1-2H3,(H,24,27,30)
InChIKeyHZZBVKNPSZFYKE-UHFFFAOYSA-N
XLogP3.78
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide
CID 138590958
1-(1-ethylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyrazole-4-carboxamide
CID 138591491
4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide
CID 138587038
N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide
CID 157466044
2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 147995792
1-cyclopropyl-N-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]pyrazole-4-carboxamide
CID 138588243
1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide
CID 138587403
6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide
CID 138590695
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589540
2-(4-hydroxypiperidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138590290
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide
CID 138590221
1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138586986

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide (CID 138589819) is 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2cc3nc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)s1.
What is the InChIKey of 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is HZZBVKNPSZFYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-14-23-12-20(31-14)22(30)27-21-9-19-15(10-24-21)3-4-18(26-19)16-11-25-29(13-16)17-5-7-28(2)8-6-17/h3-4,9-13,17H,5-8H2,1-2H3,(H,24,27,30).
What are the key properties of 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide?
2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 138589819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).