3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide

C20H24N6O2 — CID 90546179

IUPAC3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide
SMILESCOc1c2ccc(C(=O)Nc3cc(N4CCC(C)CC4)ncn3)cc2nn1C
InChIInChI=1S/C20H24N6O2/c1-13-6-8-26(9-7-13)18-11-17(21-12-22-18)23-19(27)14-4-5-15-16(10-14)24-25(2)20(15)28-3/h4-5,10-13H,6-9H2,1-3H3,(H,21,22,23,27)
InChIKeyKXFFYWCUQKLDBF-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.86
Rot. Bonds4

About 3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide

3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide (PubChem CID 90546179) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide
PubChem CID90546179
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide
SMILESCOc1c2ccc(C(=O)Nc3cc(N4CCC(C)CC4)ncn3)cc2nn1C
InChIInChI=1S/C20H24N6O2/c1-13-6-8-26(9-7-13)18-11-17(21-12-22-18)23-19(27)14-4-5-15-16(10-14)24-25(2)20(15)28-3/h4-5,10-13H,6-9H2,1-3H3,(H,21,22,23,27)
InChIKeyKXFFYWCUQKLDBF-UHFFFAOYSA-N
XLogP2.86
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90546033
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
CID 90545933
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 90546104
N-cycloheptyl-3-methoxy-2-methylindazole-6-carboxamide
CID 90609130
2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545945
1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90546257
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2H-benzotriazole-5-carboxamide
CID 90543955
5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide
CID 90546108
4-[[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113192856
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide
CID 90546125
3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
CID 90546079

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide?
The IUPAC name of 3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide (CID 90546179) is 3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide?
The canonical SMILES for 3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide is COc1c2ccc(C(=O)Nc3cc(N4CCC(C)CC4)ncn3)cc2nn1C.
What is the InChIKey of 3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide?
The InChIKey is KXFFYWCUQKLDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13-6-8-26(9-7-13)18-11-17(21-12-22-18)23-19(27)14-4-5-15-16(10-14)24-25(2)20(15)28-3/h4-5,10-13H,6-9H2,1-3H3,(H,21,22,23,27).
What are the key properties of 3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide?
3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide is sourced from PubChem (CID 90546179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).