5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C25H26N6O — CID 167511772

IUPAC5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNc1cc2ncc(-c3cc(NC(=O)c4cnn5c4CC(C)CC5)ccc3C)cc2cn1
InChIInChI=1S/C25H26N6O/c1-15-6-7-31-23(8-15)21(14-29-31)25(32)30-19-5-4-16(2)20(10-19)17-9-18-13-28-24(26-3)11-22(18)27-12-17/h4-5,9-15H,6-8H2,1-3H3,(H,26,28)(H,30,32)
InChIKeyLOOYLNPKRGKHKB-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.68
Rot. Bonds4

About 5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 167511772) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID167511772
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNc1cc2ncc(-c3cc(NC(=O)c4cnn5c4CC(C)CC5)ccc3C)cc2cn1
InChIInChI=1S/C25H26N6O/c1-15-6-7-31-23(8-15)21(14-29-31)25(32)30-19-5-4-16(2)20(10-19)17-9-18-13-28-24(26-3)11-22(18)27-12-17/h4-5,9-15H,6-8H2,1-3H3,(H,26,28)(H,30,32)
InChIKeyLOOYLNPKRGKHKB-UHFFFAOYSA-N
XLogP4.68
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 167511772) is 5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CNc1cc2ncc(-c3cc(NC(=O)c4cnn5c4CC(C)CC5)ccc3C)cc2cn1.
What is the InChIKey of 5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is LOOYLNPKRGKHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-15-6-7-31-23(8-15)21(14-29-31)25(32)30-19-5-4-16(2)20(10-19)17-9-18-13-28-24(26-3)11-22(18)27-12-17/h4-5,9-15H,6-8H2,1-3H3,(H,26,28)(H,30,32).
What are the key properties of 5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 167511772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).