1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide

C20H18F2N6O3 — CID 162440025

IUPAC1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2c(F)cccc2F)cc1Nc1ccc(C(=O)N2CCOCC2)nc1
InChIInChI=1S/C20H18F2N6O3/c21-13-2-1-3-14(22)18(13)28-11-16(17(26-28)19(23)29)25-12-4-5-15(24-10-12)20(30)27-6-8-31-9-7-27/h1-5,10-11,25H,6-9H2,(H2,23,29)
InChIKeyYMQOWEXBEYXCTQ-UHFFFAOYSA-N
MW428.40 g/mol
LogP1.86
Rot. Bonds5

About 1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide

1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide (PubChem CID 162440025) has the molecular formula C20H18F2N6O3 and a molecular weight of 428.40 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide
PubChem CID162440025
Molecular FormulaC20H18F2N6O3
Molecular Weight428.40 g/mol
Exact Mass428.14
IUPAC Name1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2c(F)cccc2F)cc1Nc1ccc(C(=O)N2CCOCC2)nc1
InChIInChI=1S/C20H18F2N6O3/c21-13-2-1-3-14(22)18(13)28-11-16(17(26-28)19(23)29)25-12-4-5-15(24-10-12)20(30)27-6-8-31-9-7-27/h1-5,10-11,25H,6-9H2,(H2,23,29)
InChIKeyYMQOWEXBEYXCTQ-UHFFFAOYSA-N
XLogP1.86
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(2-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184658
1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide
CID 162440103
[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184706
[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182712
2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118347794
[5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184671
1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide
CID 162440073
methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate
CID 109184691
morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109184685
[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193428
1-(2,6-difluorophenyl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrazole-3-carboxamide
CID 119044296
morpholin-4-yl-[5-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109184585

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide (CID 162440025) is 1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide is NC(=O)c1nn(-c2c(F)cccc2F)cc1Nc1ccc(C(=O)N2CCOCC2)nc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide?
The InChIKey is YMQOWEXBEYXCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O3/c21-13-2-1-3-14(22)18(13)28-11-16(17(26-28)19(23)29)25-12-4-5-15(24-10-12)20(30)27-6-8-31-9-7-27/h1-5,10-11,25H,6-9H2,(H2,23,29).
What are the key properties of 1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide?
1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide has a molecular weight of 428.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 162440025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).