2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide

C17H19N5O — CID 137255654

IUPAC2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3cnn4c3NCCC4)cc2c1C
InChIInChI=1S/C17H19N5O/c1-10-11(2)20-14-5-4-12(8-13(10)14)17(23)21-15-9-19-22-7-3-6-18-16(15)22/h4-5,8-9,18,20H,3,6-7H2,1-2H3,(H,21,23)
InChIKeyOJXBWWQZYZXULM-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.05
Rot. Bonds2

About 2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide

2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide (PubChem CID 137255654) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide
PubChem CID137255654
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3cnn4c3NCCC4)cc2c1C
InChIInChI=1S/C17H19N5O/c1-10-11(2)20-14-5-4-12(8-13(10)14)17(23)21-15-9-19-22-7-3-6-18-16(15)22/h4-5,8-9,18,20H,3,6-7H2,1-2H3,(H,21,23)
InChIKeyOJXBWWQZYZXULM-UHFFFAOYSA-N
XLogP3.05
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide
CID 137255597
2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide
CID 137253333
2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide
CID 55736357
N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 146109328
N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26581665
2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide
CID 78878202
2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide
CID 115630320
N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474771
N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43002218
2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
CID 115766234
5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide
CID 156586902
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474767

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide (CID 137255654) is 2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)Nc3cnn4c3NCCC4)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide?
The InChIKey is OJXBWWQZYZXULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-10-11(2)20-14-5-4-12(8-13(10)14)17(23)21-15-9-19-22-7-3-6-18-16(15)22/h4-5,8-9,18,20H,3,6-7H2,1-2H3,(H,21,23).
What are the key properties of 2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide?
2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 137255654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).