1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide

C20H25ClF2N6O3 — CID 67041289

IUPAC1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc(OC(F)F)nn2CC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C20H25ClF2N6O3/c1-12(2)28-7-5-14(6-8-28)25-19(31)15-9-18(32-20(22)23)27-29(15)11-17(30)26-16-4-3-13(21)10-24-16/h3-4,9-10,12,14,20H,5-8,11H2,1-2H3,(H,25,31)(H,24,26,30)
InChIKeyXSKSNBPMCZJSIJ-UHFFFAOYSA-N
MW470.91 g/mol
LogP2.77
Rot. Bonds8

About 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide

1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide (PubChem CID 67041289) has the molecular formula C20H25ClF2N6O3 and a molecular weight of 470.91 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
PubChem CID67041289
Molecular FormulaC20H25ClF2N6O3
Molecular Weight470.91 g/mol
Exact Mass470.16
IUPAC Name1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc(OC(F)F)nn2CC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C20H25ClF2N6O3/c1-12(2)28-7-5-14(6-8-28)25-19(31)15-9-18(32-20(22)23)27-29(15)11-17(30)26-16-4-3-13(21)10-24-16/h3-4,9-10,12,14,20H,5-8,11H2,1-2H3,(H,25,31)(H,24,26,30)
InChIKeyXSKSNBPMCZJSIJ-UHFFFAOYSA-N
XLogP2.77
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.91
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-chloro-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(difluoromethoxy)pyrazole-5-carboxamide
CID 44443749
5-(5-Chloropyridin-2-yl)-2-(((4-(difluoromethoxy)-2-fluorophenyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575120
2-(((4-(Difluoromethoxy)-2-fluorophenyl)amino)methyl)-5-(6-fluoropyridin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 134814149
5-(4-Chloropyridin-2-yl)-2-(((4-(difluoromethoxy)-2-fluorophenyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575191
5-(5-Chloropyridin-2-yl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575136
(4-chloro-1H-pyrrol-2-yl)-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 53610569
N-[4-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
CID 71467336
N-(pyridin-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789335
4-[5-(difluoromethyl)-1-methylpyrazol-3-yl]oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 178314137
4-(2,5-dimethylpyrazol-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 178314840
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(2-methylpyrazol-3-yl)oxypyridine-2-carboxamide
CID 178315491
4-(1,5-dimethylpyrazol-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 178316852

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide (CID 67041289) is 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide is CC(C)N1CCC(NC(=O)c2cc(OC(F)F)nn2CC(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?
The InChIKey is XSKSNBPMCZJSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClF2N6O3/c1-12(2)28-7-5-14(6-8-28)25-19(31)15-9-18(32-20(22)23)27-29(15)11-17(30)26-16-4-3-13(21)10-24-16/h3-4,9-10,12,14,20H,5-8,11H2,1-2H3,(H,25,31)(H,24,26,30).
What are the key properties of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?
1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide has a molecular weight of 470.91 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 67041289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).