N-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide

C15H12ClF3N6O — CID 155671486

IUPACN-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCC(C)n1cnc2c(NC(=O)c3ccnc(C(F)(F)F)c3)nc(Cl)nc21
InChIInChI=1S/C15H12ClF3N6O/c1-7(2)25-6-21-10-11(23-14(16)24-12(10)25)22-13(26)8-3-4-20-9(5-8)15(17,18)19/h3-7H,1-2H3,(H,22,23,24,26)
InChIKeyNTCXYOVQECWJRL-UHFFFAOYSA-N
MW384.75 g/mol
LogP3.73
Rot. Bonds3

About N-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide

N-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 155671486) has the molecular formula C15H12ClF3N6O and a molecular weight of 384.75 g/mol. Its IUPAC name is N-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID155671486
Molecular FormulaC15H12ClF3N6O
Molecular Weight384.75 g/mol
Exact Mass384.07
IUPAC NameN-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCC(C)n1cnc2c(NC(=O)c3ccnc(C(F)(F)F)c3)nc(Cl)nc21
InChIInChI=1S/C15H12ClF3N6O/c1-7(2)25-6-21-10-11(23-14(16)24-12(10)25)22-13(26)8-3-4-20-9(5-8)15(17,18)19/h3-7H,1-2H3,(H,22,23,24,26)
InChIKeyNTCXYOVQECWJRL-UHFFFAOYSA-N
XLogP3.73
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.75
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-5-(trifluoromethyl)benzonitrile
CID 176909206
2-chloro-N-(3,5-dibromophenyl)-9-propan-2-ylpurin-6-amine
CID 176909183
2-chloro-N-(1,5-dimethylpyrazol-3-yl)-9-propan-2-ylpurin-6-amine
CID 22309641
2-chloro-N-[(4-methylphenyl)methyl]-9-propan-2-ylpurin-6-amine
CID 90956369
N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 171093850
2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide
CID 177051325
N-[3-(2-chloro-6-fluoro-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168929406
(2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid
CID 122049884
N-[(2-bromo-6-fluorophenyl)methyl]-2-chloro-9-propan-2-ylpurin-6-amine
CID 52917490
N-[[2-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]methyl]-2-chloro-9-propan-2-ylpurin-6-amine
CID 175875621
N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide
CID 114270139
2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 163252999

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide (CID 155671486) is N-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide is CC(C)n1cnc2c(NC(=O)c3ccnc(C(F)(F)F)c3)nc(Cl)nc21.
What is the InChIKey of N-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is NTCXYOVQECWJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N6O/c1-7(2)25-6-21-10-11(23-14(16)24-12(10)25)22-13(26)8-3-4-20-9(5-8)15(17,18)19/h3-7H,1-2H3,(H,22,23,24,26).
What are the key properties of N-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide?
N-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 384.75 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 155671486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).