2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide

C16H15N5O — CID 167977178

IUPAC2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide
SMILESCn1ncc2cc(NC(=O)c3cnc(C4CC4)nc3)ccc21
InChIInChI=1S/C16H15N5O/c1-21-14-5-4-13(6-11(14)9-19-21)20-16(22)12-7-17-15(18-8-12)10-2-3-10/h4-10H,2-3H2,1H3,(H,20,22)
InChIKeyVYFIBJVXBRKARU-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.49
Rot. Bonds3

About 2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide

2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide (PubChem CID 167977178) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide
PubChem CID167977178
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide
SMILESCn1ncc2cc(NC(=O)c3cnc(C4CC4)nc3)ccc21
InChIInChI=1S/C16H15N5O/c1-21-14-5-4-13(6-11(14)9-19-21)20-16(22)12-7-17-15(18-8-12)10-2-3-10/h4-10H,2-3H2,1H3,(H,20,22)
InChIKeyVYFIBJVXBRKARU-UHFFFAOYSA-N
XLogP2.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide (CID 167977178) is 2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide is Cn1ncc2cc(NC(=O)c3cnc(C4CC4)nc3)ccc21.
What is the InChIKey of 2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide?
The InChIKey is VYFIBJVXBRKARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-21-14-5-4-13(6-11(14)9-19-21)20-16(22)12-7-17-15(18-8-12)10-2-3-10/h4-10H,2-3H2,1H3,(H,20,22).
What are the key properties of 2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide?
2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 167977178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).