7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

C21H17F2N5O — CID 123138405

IUPAC7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)nc3cc(Cc4cccnc4C(F)F)ccc23)cn1
InChIInChI=1S/C21H17F2N5O/c1-28-11-14(10-26-28)16-9-18(21(24)29)27-17-8-12(4-5-15(16)17)7-13-3-2-6-25-19(13)20(22)23/h2-6,8-11,20H,7H2,1H3,(H2,24,29)
InChIKeyBOCFILRABVLDRT-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.66
Rot. Bonds5

About 7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (PubChem CID 123138405) has the molecular formula C21H17F2N5O and a molecular weight of 393.40 g/mol. Its IUPAC name is 7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
PubChem CID123138405
Molecular FormulaC21H17F2N5O
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)nc3cc(Cc4cccnc4C(F)F)ccc23)cn1
InChIInChI=1S/C21H17F2N5O/c1-28-11-14(10-26-28)16-9-18(21(24)29)27-17-8-12(4-5-15(16)17)7-13-3-2-6-25-19(13)20(22)23/h2-6,8-11,20H,7H2,1H3,(H2,24,29)
InChIKeyBOCFILRABVLDRT-UHFFFAOYSA-N
XLogP3.66
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide with MolForge

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Related Compounds

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CID 10090485
Bay-876
CID 118191391
c-Met Inhibitor D6808
CID 165437862
Dihydropyrrolopyrazole, 9
CID 10203646
Quinoline derivative 6
CID 89554734
Quinoline derivative 4
CID 89554759
4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 117641885
N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 165430631
4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
CID 53316426
(+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355646
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660845

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The IUPAC name of 7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (CID 123138405) is 7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The canonical SMILES for 7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cccnc4C(F)F)ccc23)cn1.
What is the InChIKey of 7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The InChIKey is BOCFILRABVLDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O/c1-28-11-14(10-26-28)16-9-18(21(24)29)27-17-8-12(4-5-15(16)17)7-13-3-2-6-25-19(13)20(22)23/h2-6,8-11,20H,7H2,1H3,(H2,24,29).
What are the key properties of 7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 123138405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).