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

C26H28FN9O2 — CID 174184661

IUPAC1-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
SMILESCNc1ncc(-c2nc3ccc(N4CC5CN(C)CC4CO5)cn3n2)c2cc(NC(=O)C3(F)CC3)ncc12
InChIInChI=1S/C26H28FN9O2/c1-28-23-19-8-29-21(31-25(37)26(27)5-6-26)7-18(19)20(9-30-23)24-32-22-4-3-15(11-36(22)33-24)35-13-17-12-34(2)10-16(35)14-38-17/h3-4,7-9,11,16-17H,5-6,10,12-14H2,1-2H3,(H,28,30)(H,29,31,37)
InChIKeyCRMUTZVMMDMJCN-UHFFFAOYSA-N
MW517.57 g/mol
LogP2.34
Rot. Bonds5

About 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

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 (PubChem CID 174184661) has the molecular formula C26H28FN9O2 and a molecular weight of 517.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID174184661
Molecular FormulaC26H28FN9O2
Molecular Weight517.57 g/mol
Exact Mass517.23
IUPAC Name1-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
SMILESCNc1ncc(-c2nc3ccc(N4CC5CN(C)CC4CO5)cn3n2)c2cc(NC(=O)C3(F)CC3)ncc12
InChIInChI=1S/C26H28FN9O2/c1-28-23-19-8-29-21(31-25(37)26(27)5-6-26)7-18(19)20(9-30-23)24-32-22-4-3-15(11-36(22)33-24)35-13-17-12-34(2)10-16(35)14-38-17/h3-4,7-9,11,16-17H,5-6,10,12-14H2,1-2H3,(H,28,30)(H,29,31,37)
InChIKeyCRMUTZVMMDMJCN-UHFFFAOYSA-N
XLogP2.34
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.57
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1ncc(-c2nc3ccc(N4CC5CN(C)CC4CO5)cn3n2)c2cc(NC(=O)C3(F)CC3)ncc12.
What is the InChIKey of 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?
The InChIKey is CRMUTZVMMDMJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN9O2/c1-28-23-19-8-29-21(31-25(37)26(27)5-6-26)7-18(19)20(9-30-23)24-32-22-4-3-15(11-36(22)33-24)35-13-17-12-34(2)10-16(35)14-38-17/h3-4,7-9,11,16-17H,5-6,10,12-14H2,1-2H3,(H,28,30)(H,29,31,37).
What are the key properties of 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?
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 has a molecular weight of 517.57 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174184661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).