N-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide

C16H14ClN5O2 — CID 22252474

IUPACN-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide
SMILESCc1nn(C)c2ncc(NC(=O)N(C=O)c3cccc(Cl)c3)cc12
InChIInChI=1S/C16H14ClN5O2/c1-10-14-7-12(8-18-15(14)21(2)20-10)19-16(24)22(9-23)13-5-3-4-11(17)6-13/h3-9H,1-2H3,(H,19,24)
InChIKeyNWNQTVXMJQPGQV-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.13
Rot. Bonds3

About N-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide

N-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide (PubChem CID 22252474) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide
PubChem CID22252474
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC NameN-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide
SMILESCc1nn(C)c2ncc(NC(=O)N(C=O)c3cccc(Cl)c3)cc12
InChIInChI=1S/C16H14ClN5O2/c1-10-14-7-12(8-18-15(14)21(2)20-10)19-16(24)22(9-23)13-5-3-4-11(17)6-13/h3-9H,1-2H3,(H,19,24)
InChIKeyNWNQTVXMJQPGQV-UHFFFAOYSA-N
XLogP3.13
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.13
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)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide
CID 22252442
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide
CID 87918614
N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide
CID 91092268
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 136571775
N-(2,6-dimethylphenyl)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl-methylamino]acetamide
CID 86993944
1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 100619755
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-2-carboxamide
CID 31520160
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
CID 86993906
2-(2-chlorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 51334528
3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520219
1-butyl-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)urea
CID 110892708
4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide
CID 134024922

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide (CID 22252474) is N-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide is Cc1nn(C)c2ncc(NC(=O)N(C=O)c3cccc(Cl)c3)cc12.
What is the InChIKey of N-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide?
The InChIKey is NWNQTVXMJQPGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-10-14-7-12(8-18-15(14)21(2)20-10)19-16(24)22(9-23)13-5-3-4-11(17)6-13/h3-9H,1-2H3,(H,19,24).
What are the key properties of N-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide?
N-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide has a molecular weight of 343.77 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide is sourced from PubChem (CID 22252474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).