1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide

C19H21N5O3 — CID 10109543

IUPAC1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12
InChIInChI=1S/C19H21N5O3/c1-11(2)27-15-7-5-6-14(9-15)21-19(26)22-18(25)13-8-16-12(3)23-24(4)17(16)20-10-13/h5-11H,1-4H3,(H2,21,22,25,26)
InChIKeyZNDPCVMYGZAQKN-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.03
Rot. Bonds4

About 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide

1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 10109543) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID10109543
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12
InChIInChI=1S/C19H21N5O3/c1-11(2)27-15-7-5-6-14(9-15)21-19(26)22-18(25)13-8-16-12(3)23-24(4)17(16)20-10-13/h5-11H,1-4H3,(H2,21,22,25,26)
InChIKeyZNDPCVMYGZAQKN-UHFFFAOYSA-N
XLogP3.03
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39997561
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39500397
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 11598832
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide
CID 22252442
1,3-dimethyl-N-[(3-phenoxyphenyl)carbamoyl]-N-sulfanylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 87500483
1,3-dimethyl-6-(4-piperidin-1-ylpiperidin-1-yl)-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide;hydrochloride
CID 22282152
1,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 87010918
N-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 10227066
(2R)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenoxypropanamide
CID 30342927
1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 34452654
N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839537

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide (CID 10109543) is 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12.
What is the InChIKey of 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is ZNDPCVMYGZAQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11(2)27-15-7-5-6-14(9-15)21-19(26)22-18(25)13-8-16-12(3)23-24(4)17(16)20-10-13/h5-11H,1-4H3,(H2,21,22,25,26).
What are the key properties of 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 10109543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).