N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide

C20H18F2N6O — CID 176790792

IUPACN-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide
SMILESN#CC1CCC(NC(=O)c2cnc(-n3nc(C(F)F)c4ccccc43)nc2)CC1
InChIInChI=1S/C20H18F2N6O/c21-18(22)17-15-3-1-2-4-16(15)28(27-17)20-24-10-13(11-25-20)19(29)26-14-7-5-12(9-23)6-8-14/h1-4,10-12,14,18H,5-8H2,(H,26,29)
InChIKeyGTZCYPRCTWQVSX-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.57
Rot. Bonds4

About N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide

N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide (PubChem CID 176790792) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide
PubChem CID176790792
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC NameN-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide
SMILESN#CC1CCC(NC(=O)c2cnc(-n3nc(C(F)F)c4ccccc43)nc2)CC1
InChIInChI=1S/C20H18F2N6O/c21-18(22)17-15-3-1-2-4-16(15)28(27-17)20-24-10-13(11-25-20)19(29)26-14-7-5-12(9-23)6-8-14/h1-4,10-12,14,18H,5-8H2,(H,26,29)
InChIKeyGTZCYPRCTWQVSX-UHFFFAOYSA-N
XLogP3.57
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
CID 176791101
ethyl 2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxylate
CID 169159897
N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
CID 176790912
2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide
CID 176790881
2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide
CID 176791194
tert-butyl 3-[[2-[3-(trifluoromethyl)indazol-1-yl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 176791007
N-(4-cyanocyclohexyl)-2-fluorobenzamide
CID 115270160
N-(4-cyanocyclohexyl)-3,4-difluorobenzamide
CID 115270179
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567
N-(4-cyanocyclohexyl)-2-phenylacetamide
CID 115270171
propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 176790936
N-(4-cyanocyclohexyl)-4-methoxybenzamide
CID 115270168

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide (CID 176790792) is N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide is N#CC1CCC(NC(=O)c2cnc(-n3nc(C(F)F)c4ccccc43)nc2)CC1.
What is the InChIKey of N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide?
The InChIKey is GTZCYPRCTWQVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O/c21-18(22)17-15-3-1-2-4-16(15)28(27-17)20-24-10-13(11-25-20)19(29)26-14-7-5-12(9-23)6-8-14/h1-4,10-12,14,18H,5-8H2,(H,26,29).
What are the key properties of N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide?
N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 176790792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).