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

C25H25F2N7O — CID 178122962

IUPACN-[5-[6-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-ethyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCCc1ncc(-c2nc3ccc(N4CCCC(F)(F)C4)cn3n2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C25H25F2N7O/c1-2-20-18-11-29-21(30-24(35)15-4-5-15)10-17(18)19(12-28-20)23-31-22-7-6-16(13-34(22)32-23)33-9-3-8-25(26,27)14-33/h6-7,10-13,15H,2-5,8-9,14H2,1H3,(H,29,30,35)
InChIKeyCAFMIAPHHSOCQE-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.49
Rot. Bonds5

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

N-[5-[6-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-ethyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 178122962) has the molecular formula C25H25F2N7O and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[5-[6-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-ethyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-ethyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID178122962
Molecular FormulaC25H25F2N7O
Molecular Weight477.52 g/mol
Exact Mass477.21
IUPAC NameN-[5-[6-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-ethyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCCc1ncc(-c2nc3ccc(N4CCCC(F)(F)C4)cn3n2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C25H25F2N7O/c1-2-20-18-11-29-21(30-24(35)15-4-5-15)10-17(18)19(12-28-20)23-31-22-7-6-16(13-34(22)32-23)33-9-3-8-25(26,27)14-33/h6-7,10-13,15H,2-5,8-9,14H2,1H3,(H,29,30,35)
InChIKeyCAFMIAPHHSOCQE-UHFFFAOYSA-N
XLogP4.49
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[8-ethyl-5-[6-[2-(trifluoromethyl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122767
N-[8-ethyl-5-[6-(7-methyl-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 178122060
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-[8-methoxy-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122220
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-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122499
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
cis-(1S,2R)-2-methyl-N-[5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(1,1,2,2,2-pentadeuterioethyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 178122906
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-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627223

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-ethyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-ethyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 178122962) is N-[5-[6-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-ethyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-ethyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-ethyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CCc1ncc(-c2nc3ccc(N4CCCC(F)(F)C4)cn3n2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[5-[6-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-ethyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is CAFMIAPHHSOCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O/c1-2-20-18-11-29-21(30-24(35)15-4-5-15)10-17(18)19(12-28-20)23-31-22-7-6-16(13-34(22)32-23)33-9-3-8-25(26,27)14-33/h6-7,10-13,15H,2-5,8-9,14H2,1H3,(H,29,30,35).
What are the key properties of N-[5-[6-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-ethyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[5-[6-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-ethyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 477.52 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-ethyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 178122962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).