2-[7-[(2-cyclopropylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide

C18H24N6O — CID 75475444

IUPAC2-[7-[(2-cyclopropylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc2c(n1)C(Nc1ccnc(C3CC3)n1)CCC2
InChIInChI=1S/C18H24N6O/c1-23(2)16(25)11-24-10-13-4-3-5-14(17(13)22-24)20-15-8-9-19-18(21-15)12-6-7-12/h8-10,12,14H,3-7,11H2,1-2H3,(H,19,20,21)
InChIKeyYCLIMKQICOLNQT-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.13
Rot. Bonds5

About 2-[7-[(2-cyclopropylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide

2-[7-[(2-cyclopropylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide (PubChem CID 75475444) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[7-[(2-cyclopropylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[7-[(2-cyclopropylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide
PubChem CID75475444
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-[7-[(2-cyclopropylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc2c(n1)C(Nc1ccnc(C3CC3)n1)CCC2
InChIInChI=1S/C18H24N6O/c1-23(2)16(25)11-24-10-13-4-3-5-14(17(13)22-24)20-15-8-9-19-18(21-15)12-6-7-12/h8-10,12,14H,3-7,11H2,1-2H3,(H,19,20,21)
InChIKeyYCLIMKQICOLNQT-UHFFFAOYSA-N
XLogP2.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2-cyclopropylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[7-[(2-cyclopropylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide (CID 75475444) is 2-[7-[(2-cyclopropylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[7-[(2-cyclopropylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[7-[(2-cyclopropylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc2c(n1)C(Nc1ccnc(C3CC3)n1)CCC2.
What is the InChIKey of 2-[7-[(2-cyclopropylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide?
The InChIKey is YCLIMKQICOLNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-23(2)16(25)11-24-10-13-4-3-5-14(17(13)22-24)20-15-8-9-19-18(21-15)12-6-7-12/h8-10,12,14H,3-7,11H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[7-[(2-cyclopropylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide?
2-[7-[(2-cyclopropylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide has a molecular weight of 340.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2-cyclopropylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 75475444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).