N-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

C27H26N10O2 — CID 170634301

IUPACN-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESCc1ncc(NC(=O)CN2CCc3ccncc3C2)cc1NC(=O)c1nnc2cc(-c3cnn(C)c3)ccn12
InChIInChI=1S/C27H26N10O2/c1-17-23(10-22(13-29-17)31-25(38)16-36-7-4-18-3-6-28-11-20(18)15-36)32-27(39)26-34-33-24-9-19(5-8-37(24)26)21-12-30-35(2)14-21/h3,5-6,8-14H,4,7,15-16H2,1-2H3,(H,31,38)(H,32,39)
InChIKeyYQDJQURQVXTKHS-UHFFFAOYSA-N
MW522.57 g/mol
LogP2.48
Rot. Bonds6

About N-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

N-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (PubChem CID 170634301) has the molecular formula C27H26N10O2 and a molecular weight of 522.57 g/mol. Its IUPAC name is N-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
PubChem CID170634301
Molecular FormulaC27H26N10O2
Molecular Weight522.57 g/mol
Exact Mass522.22
IUPAC NameN-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESCc1ncc(NC(=O)CN2CCc3ccncc3C2)cc1NC(=O)c1nnc2cc(-c3cnn(C)c3)ccn12
InChIInChI=1S/C27H26N10O2/c1-17-23(10-22(13-29-17)31-25(38)16-36-7-4-18-3-6-28-11-20(18)15-36)32-27(39)26-34-33-24-9-19(5-8-37(24)26)21-12-30-35(2)14-21/h3,5-6,8-14H,4,7,15-16H2,1-2H3,(H,31,38)(H,32,39)
InChIKeyYQDJQURQVXTKHS-UHFFFAOYSA-N
XLogP2.48
TPSA135.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.57
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (CID 170634301) is N-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is Cc1ncc(NC(=O)CN2CCc3ccncc3C2)cc1NC(=O)c1nnc2cc(-c3cnn(C)c3)ccn12.
What is the InChIKey of N-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The InChIKey is YQDJQURQVXTKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N10O2/c1-17-23(10-22(13-29-17)31-25(38)16-36-7-4-18-3-6-28-11-20(18)15-36)32-27(39)26-34-33-24-9-19(5-8-37(24)26)21-12-30-35(2)14-21/h3,5-6,8-14H,4,7,15-16H2,1-2H3,(H,31,38)(H,32,39).
What are the key properties of N-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
N-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide has a molecular weight of 522.57 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is sourced from PubChem (CID 170634301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).