N-[5-[8-fluoro-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C24H24FN7O2 — CID 170677838

IUPACN-[5-[8-fluoro-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(-c2nc3c(F)cc(C4CCOCC4)cn3n2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C24H24FN7O2/c1-26-21-17-10-27-20(29-24(33)14-2-3-14)9-16(17)18(11-28-21)22-30-23-19(25)8-15(12-32(23)31-22)13-4-6-34-7-5-13/h8-14H,2-7H2,1H3,(H,26,28)(H,27,29,33)
InChIKeyKCVNABVOCDATER-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.76
Rot. Bonds5

About N-[5-[8-fluoro-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-[8-fluoro-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170677838) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is N-[5-[8-fluoro-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[8-fluoro-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID170677838
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC NameN-[5-[8-fluoro-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(-c2nc3c(F)cc(C4CCOCC4)cn3n2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C24H24FN7O2/c1-26-21-17-10-27-20(29-24(33)14-2-3-14)9-16(17)18(11-28-21)22-30-23-19(25)8-15(12-32(23)31-22)13-4-6-34-7-5-13/h8-14H,2-7H2,1H3,(H,26,28)(H,27,29,33)
InChIKeyKCVNABVOCDATER-UHFFFAOYSA-N
XLogP3.76
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627223
N-[8-(methylamino)-5-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626517
N-[5-[6-(4-fluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677966
N-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626878
N-[8-(methylamino)-5-[6-[(2R)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677742
N-[8-(methylamino)-5-[6-(7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627138
N-[5-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677663
N-[8-(methylamino)-5-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 174207754
N-[5-[6-[(2R)-2-(2-methoxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170678071
N-[5-[5-fluoro-6-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677790
N-[8-(methylamino)-5-(1-methylindol-3-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677953
N-[5-methyl-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626822

Frequently Asked Questions

What is the IUPAC name of N-[5-[8-fluoro-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[8-fluoro-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170677838) is N-[5-[8-fluoro-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[8-fluoro-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[8-fluoro-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CNc1ncc(-c2nc3c(F)cc(C4CCOCC4)cn3n2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[5-[8-fluoro-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is KCVNABVOCDATER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-26-21-17-10-27-20(29-24(33)14-2-3-14)9-16(17)18(11-28-21)22-30-23-19(25)8-15(12-32(23)31-22)13-4-6-34-7-5-13/h8-14H,2-7H2,1H3,(H,26,28)(H,27,29,33).
What are the key properties of N-[5-[8-fluoro-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[5-[8-fluoro-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 461.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[8-fluoro-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170677838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).