N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide

C17H13ClF3N5O2 — CID 91092268

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide
SMILESCc1nn(C)c2ncc(NC(=O)N(C=O)c3ccc(C(F)(F)F)cc3Cl)cc12
InChIInChI=1S/C17H13ClF3N5O2/c1-9-12-6-11(7-22-15(12)25(2)24-9)23-16(28)26(8-27)14-4-3-10(5-13(14)18)17(19,20)21/h3-8H,1-2H3,(H,23,28)
InChIKeyZAAOCILKPZNXQP-UHFFFAOYSA-N
MW411.77 g/mol
LogP4.14
Rot. Bonds3

About N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide

N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide (PubChem CID 91092268) has the molecular formula C17H13ClF3N5O2 and a molecular weight of 411.77 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide
PubChem CID91092268
Molecular FormulaC17H13ClF3N5O2
Molecular Weight411.77 g/mol
Exact Mass411.07
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide
SMILESCc1nn(C)c2ncc(NC(=O)N(C=O)c3ccc(C(F)(F)F)cc3Cl)cc12
InChIInChI=1S/C17H13ClF3N5O2/c1-9-12-6-11(7-22-15(12)25(2)24-9)23-16(28)26(8-27)14-4-3-10(5-13(14)18)17(19,20)21/h3-8H,1-2H3,(H,23,28)
InChIKeyZAAOCILKPZNXQP-UHFFFAOYSA-N
XLogP4.14
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.77
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide
CID 87918614
N-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide
CID 22252474
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide
CID 46585508
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide
CID 22252442
N-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]formamide
CID 87918683
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4,5-difluorobenzamide
CID 51334457
1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 100619755
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 136571775
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55515590
4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide
CID 134024922
N-[6-[2-(dimethylamino)ethyl-methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]formamide;hydrochloride
CID 87918664
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-2-carboxamide
CID 31520160

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide (CID 91092268) is N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide is Cc1nn(C)c2ncc(NC(=O)N(C=O)c3ccc(C(F)(F)F)cc3Cl)cc12.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide?
The InChIKey is ZAAOCILKPZNXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N5O2/c1-9-12-6-11(7-22-15(12)25(2)24-9)23-16(28)26(8-27)14-4-3-10(5-13(14)18)17(19,20)21/h3-8H,1-2H3,(H,23,28).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide has a molecular weight of 411.77 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide is sourced from PubChem (CID 91092268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).