N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide

C20H19N7O — CID 46998627

IUPACN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide
SMILESCn1nc(C2CC2)cc1NC(=O)Cn1nc(-c2cncnc2)c2ccccc21
InChIInChI=1S/C20H19N7O/c1-26-18(8-16(24-26)13-6-7-13)23-19(28)11-27-17-5-3-2-4-15(17)20(25-27)14-9-21-12-22-10-14/h2-5,8-10,12-13H,6-7,11H2,1H3,(H,23,28)
InChIKeyRMPFSPCQKUSCDQ-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.74
Rot. Bonds5

About N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide (PubChem CID 46998627) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide
PubChem CID46998627
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide
SMILESCn1nc(C2CC2)cc1NC(=O)Cn1nc(-c2cncnc2)c2ccccc21
InChIInChI=1S/C20H19N7O/c1-26-18(8-16(24-26)13-6-7-13)23-19(28)11-27-17-5-3-2-4-15(17)20(25-27)14-9-21-12-22-10-14/h2-5,8-10,12-13H,6-7,11H2,1H3,(H,23,28)
InChIKeyRMPFSPCQKUSCDQ-UHFFFAOYSA-N
XLogP2.74
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide (CID 46998627) is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide is Cn1nc(C2CC2)cc1NC(=O)Cn1nc(-c2cncnc2)c2ccccc21.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide?
The InChIKey is RMPFSPCQKUSCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-26-18(8-16(24-26)13-6-7-13)23-19(28)11-27-17-5-3-2-4-15(17)20(25-27)14-9-21-12-22-10-14/h2-5,8-10,12-13H,6-7,11H2,1H3,(H,23,28).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide?
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide has a molecular weight of 373.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide is sourced from PubChem (CID 46998627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).