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

C26H29N9O2 — CID 170627138

IUPACN-[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
SMILESCNc1ncc(-c2nc3ccc(N4CC5CN(C)CC(C4)O5)cn3n2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C26H29N9O2/c1-27-24-20-8-28-22(30-26(36)15-3-4-15)7-19(20)21(9-29-24)25-31-23-6-5-16(10-35(23)32-25)34-13-17-11-33(2)12-18(14-34)37-17/h5-10,15,17-18H,3-4,11-14H2,1-2H3,(H,27,29)(H,28,30,36)
InChIKeyLYQOVFJZQXYTDG-UHFFFAOYSA-N
MW499.58 g/mol
LogP2.25
Rot. Bonds5

About 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

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 (PubChem CID 170627138) has the molecular formula C26H29N9O2 and a molecular weight of 499.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID170627138
Molecular FormulaC26H29N9O2
Molecular Weight499.58 g/mol
Exact Mass499.24
IUPAC NameN-[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
SMILESCNc1ncc(-c2nc3ccc(N4CC5CN(C)CC(C4)O5)cn3n2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C26H29N9O2/c1-27-24-20-8-28-22(30-26(36)15-3-4-15)7-19(20)21(9-29-24)25-31-23-6-5-16(10-35(23)32-25)34-13-17-11-33(2)12-18(14-34)37-17/h5-10,15,17-18H,3-4,11-14H2,1-2H3,(H,27,29)(H,28,30,36)
InChIKeyLYQOVFJZQXYTDG-UHFFFAOYSA-N
XLogP2.25
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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-(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-(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-[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-[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
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-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626878
cis-(1S,2R)-2-methyl-N-[8-(methylamino)-5-[6-(3-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonan-8-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 174183201
N-[8-(methylamino)-5-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626517
cis-(1R,2S)-2-methyl-N-[8-(methylamino)-5-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 170627274
1-fluoro-N-[8-(methylamino)-5-[6-(3-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonan-8-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 174184661

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1ncc(-c2nc3ccc(N4CC5CN(C)CC(C4)O5)cn3n2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of 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?
The InChIKey is LYQOVFJZQXYTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O2/c1-27-24-20-8-28-22(30-26(36)15-3-4-15)7-19(20)21(9-29-24)25-31-23-6-5-16(10-35(23)32-25)34-13-17-11-33(2)12-18(14-34)37-17/h5-10,15,17-18H,3-4,11-14H2,1-2H3,(H,27,29)(H,28,30,36).
What are the key properties of 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?
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 has a molecular weight of 499.58 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170627138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).