4-[[1-[(3,3-difluorocyclobutyl)methyl]-4-methyl-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide

C19H20F5N5O2 — CID 166528371

IUPAC4-[[1-[(3,3-difluorocyclobutyl)methyl]-4-methyl-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
SMILESCc1c(C(C)C(F)(F)F)nn(CC2CC(F)(F)C2)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C19H20F5N5O2/c1-9-14(10(2)19(22,23)24)28-29(8-11-6-18(20,21)7-11)15(9)17(31)27-12-3-4-26-13(5-12)16(25)30/h3-5,10-11H,6-8H2,1-2H3,(H2,25,30)(H,26,27,31)
InChIKeyIVGMCPLXGZIFKK-UHFFFAOYSA-N
MW445.39 g/mol
LogP3.65
Rot. Bonds6

About 4-[[1-[(3,3-difluorocyclobutyl)methyl]-4-methyl-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide

4-[[1-[(3,3-difluorocyclobutyl)methyl]-4-methyl-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 166528371) has the molecular formula C19H20F5N5O2 and a molecular weight of 445.39 g/mol. Its IUPAC name is 4-[[1-[(3,3-difluorocyclobutyl)methyl]-4-methyl-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[1-[(3,3-difluorocyclobutyl)methyl]-4-methyl-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
PubChem CID166528371
Molecular FormulaC19H20F5N5O2
Molecular Weight445.39 g/mol
Exact Mass445.15
IUPAC Name4-[[1-[(3,3-difluorocyclobutyl)methyl]-4-methyl-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
SMILESCc1c(C(C)C(F)(F)F)nn(CC2CC(F)(F)C2)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C19H20F5N5O2/c1-9-14(10(2)19(22,23)24)28-29(8-11-6-18(20,21)7-11)15(9)17(31)27-12-3-4-26-13(5-12)16(25)30/h3-5,10-11H,6-8H2,1-2H3,(H2,25,30)(H,26,27,31)
InChIKeyIVGMCPLXGZIFKK-UHFFFAOYSA-N
XLogP3.65
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Ethyl-4-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872295
N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide
CID 10598093
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
(+)-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-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 165129816
1-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-3-carbohydrazide
CID 5412145
N-(4-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)benzamide
CID 52942123
2-[4-[3-(N-[2-[3,5-bis(trifluoromethyl)-2-pyridinyl]acetyl]-4-fluoroanilino)prop-1-ynyl]pyrazol-1-yl]propanamide
CID 168286360
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-pyridinyl)benzamide
CID 826943
1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 5424915
5-tert-butyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 5726253

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3,3-difluorocyclobutyl)methyl]-4-methyl-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[1-[(3,3-difluorocyclobutyl)methyl]-4-methyl-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide (CID 166528371) is 4-[[1-[(3,3-difluorocyclobutyl)methyl]-4-methyl-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[1-[(3,3-difluorocyclobutyl)methyl]-4-methyl-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[1-[(3,3-difluorocyclobutyl)methyl]-4-methyl-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide is Cc1c(C(C)C(F)(F)F)nn(CC2CC(F)(F)C2)c1C(=O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[[1-[(3,3-difluorocyclobutyl)methyl]-4-methyl-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is IVGMCPLXGZIFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F5N5O2/c1-9-14(10(2)19(22,23)24)28-29(8-11-6-18(20,21)7-11)15(9)17(31)27-12-3-4-26-13(5-12)16(25)30/h3-5,10-11H,6-8H2,1-2H3,(H2,25,30)(H,26,27,31).
What are the key properties of 4-[[1-[(3,3-difluorocyclobutyl)methyl]-4-methyl-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
4-[[1-[(3,3-difluorocyclobutyl)methyl]-4-methyl-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 445.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3,3-difluorocyclobutyl)methyl]-4-methyl-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 166528371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).