N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide

C19H21N5O3 — CID 22252442

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide
SMILESCc1nn(C)c2ncc(NC(=O)N(C=O)c3cccc(OC(C)C)c3)cc12
InChIInChI=1S/C19H21N5O3/c1-12(2)27-16-7-5-6-15(9-16)24(11-25)19(26)21-14-8-17-13(3)22-23(4)18(17)20-10-14/h5-12H,1-4H3,(H,21,26)
InChIKeyVNKOVOOJQBNIDO-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.26
Rot. Bonds5

About N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide (PubChem CID 22252442) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide
PubChem CID22252442
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide
SMILESCc1nn(C)c2ncc(NC(=O)N(C=O)c3cccc(OC(C)C)c3)cc12
InChIInChI=1S/C19H21N5O3/c1-12(2)27-16-7-5-6-15(9-16)24(11-25)19(26)21-14-8-17-13(3)22-23(4)18(17)20-10-14/h5-12H,1-4H3,(H,21,26)
InChIKeyVNKOVOOJQBNIDO-UHFFFAOYSA-N
XLogP3.26
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide
CID 87918614
(2R)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenoxypropanamide
CID 30342927
1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 10109543
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-(4-methylphenyl)ethyl]urea
CID 86993906
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)-2-(methylamino)propanamide
CID 62637301
N-(2,6-dimethylphenyl)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl-methylamino]acetamide
CID 86993944
1,3-dimethyl-N-[(3-phenoxyphenyl)carbamoyl]-N-sulfanylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 87500483
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-methylsulfonylpropanamide
CID 47203922
3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520219

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide (CID 22252442) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide is Cc1nn(C)c2ncc(NC(=O)N(C=O)c3cccc(OC(C)C)c3)cc12.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide?
The InChIKey is VNKOVOOJQBNIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12(2)27-16-7-5-6-15(9-16)24(11-25)19(26)21-14-8-17-13(3)22-23(4)18(17)20-10-14/h5-12H,1-4H3,(H,21,26).
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide has a molecular weight of 367.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide is sourced from PubChem (CID 22252442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).