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

C22H21FN6O2 — CID 170967783

IUPACcis-(1R,2R)-2-fluoro-N-[4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
SMILESCCC(O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4C[C@H]4F)cc3n3ncnc23)cn1
InChIInChI=1S/C22H21FN6O2/c1-3-19(30)17-4-11(2)15(9-24-17)13-5-12-8-25-20(28-22(31)14-6-16(14)23)7-18(12)29-21(13)26-10-27-29/h4-5,7-10,14,16,19,30H,3,6H2,1-2H3,(H,25,28,31)/t14-,16+,19?/m0/s1
InChIKeyQPMPZQYKIZCXGR-FSGMKPHLSA-N
MW420.45 g/mol
LogP3.39
Rot. Bonds5

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

cis-(1R,2R)-2-fluoro-N-[4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide (PubChem CID 170967783) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is cis-(1R,2R)-2-fluoro-N-[4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-fluoro-N-[4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
PubChem CID170967783
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Namecis-(1R,2R)-2-fluoro-N-[4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
SMILESCCC(O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4C[C@H]4F)cc3n3ncnc23)cn1
InChIInChI=1S/C22H21FN6O2/c1-3-19(30)17-4-11(2)15(9-24-17)13-5-12-8-25-20(28-22(31)14-6-16(14)23)7-18(12)29-21(13)26-10-27-29/h4-5,7-10,14,16,19,30H,3,6H2,1-2H3,(H,25,28,31)/t14-,16+,19?/m0/s1
InChIKeyQPMPZQYKIZCXGR-FSGMKPHLSA-N
XLogP3.39
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze cis-(1R,2R)-2-fluoro-N-[4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[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 cis-(1R,2R)-2-fluoro-N-[4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-fluoro-N-[4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide (CID 170967783) is cis-(1R,2R)-2-fluoro-N-[4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-fluoro-N-[4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-fluoro-N-[4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide is CCC(O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4C[C@H]4F)cc3n3ncnc23)cn1.
What is the InChIKey of cis-(1R,2R)-2-fluoro-N-[4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The InChIKey is QPMPZQYKIZCXGR-FSGMKPHLSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-3-19(30)17-4-11(2)15(9-24-17)13-5-12-8-25-20(28-22(31)14-6-16(14)23)7-18(12)29-21(13)26-10-27-29/h4-5,7-10,14,16,19,30H,3,6H2,1-2H3,(H,25,28,31)/t14-,16+,19?/m0/s1.
What are the key properties of cis-(1R,2R)-2-fluoro-N-[4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
cis-(1R,2R)-2-fluoro-N-[4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-fluoro-N-[4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170967783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).