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

C22H23N7O2 — CID 138587939

IUPACN-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)c4cnn(C5CCN(C)CC5)c4)cc3n2)o1
InChIInChI=1S/C22H23N7O2/c1-14-23-12-20(31-14)18-4-3-15-10-24-21(9-19(15)26-18)27-22(30)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)
InChIKeyFQNLKKVXFISQQG-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.31
Rot. Bonds4

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

N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide (PubChem CID 138587939) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
PubChem CID138587939
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC NameN-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)c4cnn(C5CCN(C)CC5)c4)cc3n2)o1
InChIInChI=1S/C22H23N7O2/c1-14-23-12-20(31-14)18-4-3-15-10-24-21(9-19(15)26-18)27-22(30)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)
InChIKeyFQNLKKVXFISQQG-UHFFFAOYSA-N
XLogP3.31
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide (CID 138587939) is N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide is Cc1ncc(-c2ccc3cnc(NC(=O)c4cnn(C5CCN(C)CC5)c4)cc3n2)o1.
What is the InChIKey of N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is FQNLKKVXFISQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-14-23-12-20(31-14)18-4-3-15-10-24-21(9-19(15)26-18)27-22(30)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 N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 138587939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).