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

C27H28F3N9O4 — CID 174207754

IUPACN-[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
SMILESCNc1ncc(-c2nc3ccc(N4CC5CNCC(C4)O5)cn3n2)c2cc(NC(=O)C3CC3)ncc12.O=C(O)C(F)(F)F
InChIInChI=1S/C25H27N9O2.C2HF3O2/c1-26-23-19-9-28-21(30-25(35)14-2-3-14)6-18(19)20(10-29-23)24-31-22-5-4-15(11-34(22)32-24)33-12-16-7-27-8-17(13-33)36-16;3-2(4,5)1(6)7/h4-6,9-11,14,16-17,27H,2-3,7-8,12-13H2,1H3,(H,26,29)(H,28,30,35);(H,6,7)
InChIKeyIQPRMVVHJAKISO-UHFFFAOYSA-N
MW599.57 g/mol
LogP2.54
Rot. Bonds5

About 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

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 (PubChem CID 174207754) has the molecular formula C27H28F3N9O4 and a molecular weight of 599.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID174207754
Molecular FormulaC27H28F3N9O4
Molecular Weight599.57 g/mol
Exact Mass599.22
IUPAC NameN-[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
SMILESCNc1ncc(-c2nc3ccc(N4CC5CNCC(C4)O5)cn3n2)c2cc(NC(=O)C3CC3)ncc12.O=C(O)C(F)(F)F
InChIInChI=1S/C25H27N9O2.C2HF3O2/c1-26-23-19-9-28-21(30-25(35)14-2-3-14)6-18(19)20(10-29-23)24-31-22-5-4-15(11-34(22)32-24)33-12-16-7-27-8-17(13-33)36-16;3-2(4,5)1(6)7/h4-6,9-11,14,16-17,27H,2-3,7-8,12-13H2,1H3,(H,26,29)(H,28,30,35);(H,6,7)
InChIKeyIQPRMVVHJAKISO-UHFFFAOYSA-N
XLogP2.54
TPSA158.90 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.57
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1ncc(-c2nc3ccc(N4CC5CNCC(C4)O5)cn3n2)c2cc(NC(=O)C3CC3)ncc12.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is IQPRMVVHJAKISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O2.C2HF3O2/c1-26-23-19-9-28-21(30-25(35)14-2-3-14)6-18(19)20(10-29-23)24-31-22-5-4-15(11-34(22)32-24)33-12-16-7-27-8-17(13-33)36-16;3-2(4,5)1(6)7/h4-6,9-11,14,16-17,27H,2-3,7-8,12-13H2,1H3,(H,26,29)(H,28,30,35);(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 599.57 g/mol, XLogP of 2.54, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174207754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).