N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C17H19N5O — CID 78839537

IUPACN-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3ccc(N(C)C)cc3)cc12
InChIInChI=1S/C17H19N5O/c1-11-15-9-12(10-18-16(15)22(4)20-11)17(23)19-13-5-7-14(8-6-13)21(2)3/h5-10H,1-4H3,(H,19,23)
InChIKeyZBVVCURFAYVRPP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.60
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 78839537) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID78839537
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3ccc(N(C)C)cc3)cc12
InChIInChI=1S/C17H19N5O/c1-11-15-9-12(10-18-16(15)22(4)20-11)17(23)19-13-5-7-14(8-6-13)21(2)3/h5-10H,1-4H3,(H,19,23)
InChIKeyZBVVCURFAYVRPP-UHFFFAOYSA-N
XLogP2.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 30898812
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
N-[4-(2-hydroxyethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 110902184
1,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 87010918
N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839832
N-[4-(dimethylamino)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 78840610
1,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 43074233
1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 86917104
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39997561
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,4-dimethylbenzamide
CID 51334456
N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839498
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 87008563

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 78839537) is N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)Nc3ccc(N(C)C)cc3)cc12.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is ZBVVCURFAYVRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-15-9-12(10-18-16(15)22(4)20-11)17(23)19-13-5-7-14(8-6-13)21(2)3/h5-10H,1-4H3,(H,19,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78839537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).