N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide

C23H27N9O — CID 138586828

IUPACN-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCC(C)N1CCC(n2cc(C(=O)Nc3cc4cc(-c5cn(C)nn5)cnc4cn3)cn2)CC1
InChIInChI=1S/C23H27N9O/c1-15(2)31-6-4-19(5-7-31)32-13-18(11-26-32)23(33)27-22-9-16-8-17(10-24-20(16)12-25-22)21-14-30(3)29-28-21/h8-15,19H,4-7H2,1-3H3,(H,25,27,33)
InChIKeyQOIKTWTYBCCUNU-UHFFFAOYSA-N
MW445.53 g/mol
LogP2.92
Rot. Bonds5

About N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide

N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide (PubChem CID 138586828) has the molecular formula C23H27N9O and a molecular weight of 445.53 g/mol. Its IUPAC name is N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide
PubChem CID138586828
Molecular FormulaC23H27N9O
Molecular Weight445.53 g/mol
Exact Mass445.23
IUPAC NameN-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCC(C)N1CCC(n2cc(C(=O)Nc3cc4cc(-c5cn(C)nn5)cnc4cn3)cn2)CC1
InChIInChI=1S/C23H27N9O/c1-15(2)31-6-4-19(5-7-31)32-13-18(11-26-32)23(33)27-22-9-16-8-17(10-24-20(16)12-25-22)21-14-30(3)29-28-21/h8-15,19H,4-7H2,1-3H3,(H,25,27,33)
InChIKeyQOIKTWTYBCCUNU-UHFFFAOYSA-N
XLogP2.92
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
2,2,3,3-tetramethyl-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]cyclopropane-1-carboxamide
CID 138590781
2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138586731
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 138590816
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-4-carboxamide
CID 138588684
1-(1-ethylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide
CID 138585703
1-(1-ethylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyrazole-4-carboxamide
CID 138591491
1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide
CID 138588695
1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide
CID 138587454
2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
CID 147858441
N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 138590950
2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
CID 147372475

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide (CID 138586828) is N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide is CC(C)N1CCC(n2cc(C(=O)Nc3cc4cc(-c5cn(C)nn5)cnc4cn3)cn2)CC1.
What is the InChIKey of N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is QOIKTWTYBCCUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O/c1-15(2)31-6-4-19(5-7-31)32-13-18(11-26-32)23(33)27-22-9-16-8-17(10-24-20(16)12-25-22)21-14-30(3)29-28-21/h8-15,19H,4-7H2,1-3H3,(H,25,27,33).
What are the key properties of N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide?
N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 138586828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).