N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide

C20H19F2N5O2 — CID 167947861

IUPACN-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2F)nc1)c1cnn(C2CCCNC2)c1
InChIInChI=1S/C20H19F2N5O2/c21-14-3-5-18(17(22)8-14)29-19-6-4-15(10-24-19)26-20(28)13-9-25-27(12-13)16-2-1-7-23-11-16/h3-6,8-10,12,16,23H,1-2,7,11H2,(H,26,28)
InChIKeyBRRVMUVVDRSXSK-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.53
Rot. Bonds5

About N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide

N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide (PubChem CID 167947861) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide
PubChem CID167947861
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC NameN-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2F)nc1)c1cnn(C2CCCNC2)c1
InChIInChI=1S/C20H19F2N5O2/c21-14-3-5-18(17(22)8-14)29-19-6-4-15(10-24-19)26-20(28)13-9-25-27(12-13)16-2-1-7-23-11-16/h3-6,8-10,12,16,23H,1-2,7,11H2,(H,26,28)
InChIKeyBRRVMUVVDRSXSK-UHFFFAOYSA-N
XLogP3.53
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
CID 42878489
N-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide
CID 166251956
N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide
CID 110085480
3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide
CID 175718166
3-[4-(2-fluorophenoxy)pyrazol-1-yl]azepane
CID 117124986
N-[2-(cyclopropylamino)-2-oxoethyl]-1-piperidin-3-ylpyrazole-4-carboxamide
CID 138001192
1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide
CID 154789264
N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119849080
1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide
CID 166409137
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119849091
6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 66710581
N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119864063

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide (CID 167947861) is N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2F)nc1)c1cnn(C2CCCNC2)c1.
What is the InChIKey of N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide?
The InChIKey is BRRVMUVVDRSXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c21-14-3-5-18(17(22)8-14)29-19-6-4-15(10-24-19)26-20(28)13-9-25-27(12-13)16-2-1-7-23-11-16/h3-6,8-10,12,16,23H,1-2,7,11H2,(H,26,28).
What are the key properties of N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide?
N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 167947861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).