N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide

C14H13N5O2 — CID 107602628

IUPACN-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide
SMILESCOc1cc(C)nc(NC(=O)c2n[nH]c3ccccc23)n1
InChIInChI=1S/C14H13N5O2/c1-8-7-11(21-2)16-14(15-8)17-13(20)12-9-5-3-4-6-10(9)18-19-12/h3-7H,1-2H3,(H,18,19)(H,15,16,17,20)
InChIKeyGKLWHKRJJYRGME-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.92
Rot. Bonds3

About N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide

N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide (PubChem CID 107602628) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide
PubChem CID107602628
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide
SMILESCOc1cc(C)nc(NC(=O)c2n[nH]c3ccccc23)n1
InChIInChI=1S/C14H13N5O2/c1-8-7-11(21-2)16-14(15-8)17-13(20)12-9-5-3-4-6-10(9)18-19-12/h3-7H,1-2H3,(H,18,19)(H,15,16,17,20)
InChIKeyGKLWHKRJJYRGME-UHFFFAOYSA-N
XLogP1.92
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide (CID 107602628) is N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide is COc1cc(C)nc(NC(=O)c2n[nH]c3ccccc23)n1.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide?
The InChIKey is GKLWHKRJJYRGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-8-7-11(21-2)16-14(15-8)17-13(20)12-9-5-3-4-6-10(9)18-19-12/h3-7H,1-2H3,(H,18,19)(H,15,16,17,20).
What are the key properties of N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide?
N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 107602628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).