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

C22H20F2N6O2 — CID 170967784

IUPAC2,2-difluoro-N-[4-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[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)cc3n3ncnc23)cn1
InChIInChI=1S/C22H20F2N6O2/c1-3-18(31)16-4-11(2)14(9-25-16)13-5-12-8-26-19(29-21(32)15-7-22(15,23)24)6-17(12)30-20(13)27-10-28-30/h4-6,8-10,15,18,31H,3,7H2,1-2H3,(H,26,29,32)/t15?,18-/m0/s1
InChIKeyBRFMJNWDOHRAEE-PKHIMPSTSA-N
MW438.44 g/mol
LogP3.69
Rot. Bonds5

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

2,2-difluoro-N-[4-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide (PubChem CID 170967784) has the molecular formula C22H20F2N6O2 and a molecular weight of 438.44 g/mol. Its IUPAC name is 2,2-difluoro-N-[4-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[4-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
PubChem CID170967784
Molecular FormulaC22H20F2N6O2
Molecular Weight438.44 g/mol
Exact Mass438.16
IUPAC Name2,2-difluoro-N-[4-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[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)cc3n3ncnc23)cn1
InChIInChI=1S/C22H20F2N6O2/c1-3-18(31)16-4-11(2)14(9-25-16)13-5-12-8-26-19(29-21(32)15-7-22(15,23)24)6-17(12)30-20(13)27-10-28-30/h4-6,8-10,15,18,31H,3,7H2,1-2H3,(H,26,29,32)/t15?,18-/m0/s1
InChIKeyBRFMJNWDOHRAEE-PKHIMPSTSA-N
XLogP3.69
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,2-difluoro-N-[4-[6-[(1S)-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 2,2-difluoro-N-[4-[6-[(1S)-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 2,2-difluoro-N-[4-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide (CID 170967784) is 2,2-difluoro-N-[4-[6-[(1S)-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 2,2-difluoro-N-[4-[6-[(1S)-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 2,2-difluoro-N-[4-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[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)cc3n3ncnc23)cn1.
What is the InChIKey of 2,2-difluoro-N-[4-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The InChIKey is BRFMJNWDOHRAEE-PKHIMPSTSA-N. The full InChI is InChI=1S/C22H20F2N6O2/c1-3-18(31)16-4-11(2)14(9-25-16)13-5-12-8-26-19(29-21(32)15-7-22(15,23)24)6-17(12)30-20(13)27-10-28-30/h4-6,8-10,15,18,31H,3,7H2,1-2H3,(H,26,29,32)/t15?,18-/m0/s1.
What are the key properties of 2,2-difluoro-N-[4-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
2,2-difluoro-N-[4-[6-[(1S)-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 438.44 g/mol, XLogP of 3.69, 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-[(1S)-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 170967784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).