2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide

C23H22F2N6O2 — CID 170967749

IUPAC2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
SMILESCC[C@@H](O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4(F)F)cc3n3nc(C)nc23)cn1
InChIInChI=1S/C23H22F2N6O2/c1-4-19(32)17-5-11(2)15(10-26-17)14-6-13-9-27-20(29-22(33)16-8-23(16,24)25)7-18(13)31-21(14)28-12(3)30-31/h5-7,9-10,16,19,32H,4,8H2,1-3H3,(H,27,29,33)/t16?,19-/m1/s1
InChIKeySLMZPRLZOHIHIQ-LRTDYKAYSA-N
MW452.47 g/mol
LogP3.99
Rot. Bonds5

About 2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide

2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide (PubChem CID 170967749) has the molecular formula C23H22F2N6O2 and a molecular weight of 452.47 g/mol. Its IUPAC name is 2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
PubChem CID170967749
Molecular FormulaC23H22F2N6O2
Molecular Weight452.47 g/mol
Exact Mass452.18
IUPAC Name2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
SMILESCC[C@@H](O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4(F)F)cc3n3nc(C)nc23)cn1
InChIInChI=1S/C23H22F2N6O2/c1-4-19(32)17-5-11(2)15(10-26-17)14-6-13-9-27-20(29-22(33)16-8-23(16,24)25)7-18(13)31-21(14)28-12(3)30-31/h5-7,9-10,16,19,32H,4,8H2,1-3H3,(H,27,29,33)/t16?,19-/m1/s1
InChIKeySLMZPRLZOHIHIQ-LRTDYKAYSA-N
XLogP3.99
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide (CID 170967749) is 2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide is CC[C@@H](O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4(F)F)cc3n3nc(C)nc23)cn1.
What is the InChIKey of 2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The InChIKey is SLMZPRLZOHIHIQ-LRTDYKAYSA-N. The full InChI is InChI=1S/C23H22F2N6O2/c1-4-19(32)17-5-11(2)15(10-26-17)14-6-13-9-27-20(29-22(33)16-8-23(16,24)25)7-18(13)31-21(14)28-12(3)30-31/h5-7,9-10,16,19,32H,4,8H2,1-3H3,(H,27,29,33)/t16?,19-/m1/s1.
What are the key properties of 2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide has a molecular weight of 452.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170967749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).