2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide

C21H21F2N5O3 — CID 177235333

IUPAC2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESCOc1cnccc1-c1cc(-c2ccn(C3CCCCO3)n2)nc(C(F)F)c1C(N)=O
InChIInChI=1S/C21H21F2N5O3/c1-30-16-11-25-7-5-12(16)13-10-15(26-19(20(22)23)18(13)21(24)29)14-6-8-28(27-14)17-4-2-3-9-31-17/h5-8,10-11,17,20H,2-4,9H2,1H3,(H2,24,29)
InChIKeyAHIAQXYOJKTCCP-UHFFFAOYSA-N
MW429.43 g/mol
LogP3.75
Rot. Bonds6

About 2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide

2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 177235333) has the molecular formula C21H21F2N5O3 and a molecular weight of 429.43 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID177235333
Molecular FormulaC21H21F2N5O3
Molecular Weight429.43 g/mol
Exact Mass429.16
IUPAC Name2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESCOc1cnccc1-c1cc(-c2ccn(C3CCCCO3)n2)nc(C(F)F)c1C(N)=O
InChIInChI=1S/C21H21F2N5O3/c1-30-16-11-25-7-5-12(16)13-10-15(26-19(20(22)23)18(13)21(24)29)14-6-8-28(27-14)17-4-2-3-9-31-17/h5-8,10-11,17,20H,2-4,9H2,1H3,(H2,24,29)
InChIKeyAHIAQXYOJKTCCP-UHFFFAOYSA-N
XLogP3.75
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxylic acid
CID 171490625
[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone
CID 163570904
[[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate
CID 150188718
methyl 4-[6-[1-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]cyclohex-3-ene-1-carboxylate
CID 176914511
1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea
CID 22240322
3-chloro-1-(oxan-2-yl)pyrazole
CID 155895541
ethyl 2-[1-(oxan-2-yl)pyrazol-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
CID 177310331
4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine
CID 154649454
4-cyclopentyl-3-[3-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 154758374
2-bromo-5-[1-(oxan-2-yl)pyrazol-3-yl]aniline
CID 169085949
[4-(3-methoxy-4-pyridinyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 162632308
trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 139468679

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide (CID 177235333) is 2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide is COc1cnccc1-c1cc(-c2ccn(C3CCCCO3)n2)nc(C(F)F)c1C(N)=O.
What is the InChIKey of 2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is AHIAQXYOJKTCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O3/c1-30-16-11-25-7-5-12(16)13-10-15(26-19(20(22)23)18(13)21(24)29)14-6-8-28(27-14)17-4-2-3-9-31-17/h5-8,10-11,17,20H,2-4,9H2,1H3,(H2,24,29).
What are the key properties of 2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide?
2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 177235333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).