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

C28H32N8O — CID 178122060

IUPACN-[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
SMILESCCc1ncc(-c2nc3ccc(N4CC5CC(CN(C)C5)C4)cn3n2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C28H32N8O/c1-3-24-22-10-30-25(31-28(37)19-4-5-19)9-21(22)23(11-29-24)27-32-26-7-6-20(16-36(26)33-27)35-14-17-8-18(15-35)13-34(2)12-17/h6-7,9-11,16-19H,3-5,8,12-15H2,1-2H3,(H,30,31,37)
InChIKeyXZPMVOHDOOKDOB-UHFFFAOYSA-N
MW496.62 g/mol
LogP3.64
Rot. Bonds5

About 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

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 (PubChem CID 178122060) has the molecular formula C28H32N8O and a molecular weight of 496.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID178122060
Molecular FormulaC28H32N8O
Molecular Weight496.62 g/mol
Exact Mass496.27
IUPAC NameN-[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
SMILESCCc1ncc(-c2nc3ccc(N4CC5CC(CN(C)C5)C4)cn3n2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C28H32N8O/c1-3-24-22-10-30-25(31-28(37)19-4-5-19)9-21(22)23(11-29-24)27-32-26-7-6-20(16-36(26)33-27)35-14-17-8-18(15-35)13-34(2)12-17/h6-7,9-11,16-19H,3-5,8,12-15H2,1-2H3,(H,30,31,37)
InChIKeyXZPMVOHDOOKDOB-UHFFFAOYSA-N
XLogP3.64
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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-(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-(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-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177186994
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
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-[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-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627223
N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 170677805

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1ncc(-c2nc3ccc(N4CC5CC(CN(C)C5)C4)cn3n2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of 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?
The InChIKey is XZPMVOHDOOKDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O/c1-3-24-22-10-30-25(31-28(37)19-4-5-19)9-21(22)23(11-29-24)27-32-26-7-6-20(16-36(26)33-27)35-14-17-8-18(15-35)13-34(2)12-17/h6-7,9-11,16-19H,3-5,8,12-15H2,1-2H3,(H,30,31,37).
What are the key properties of 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?
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 has a molecular weight of 496.62 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178122060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).