N-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide

C21H25FN6O2 — CID 145234432

IUPACN-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide
SMILESCOc1nc(NC(C)=O)cc(-n2ncc3cc(C)c(C4CCN(C)CC4F)cc32)n1
InChIInChI=1S/C21H25FN6O2/c1-12-7-14-10-23-28(20-9-19(24-13(2)29)25-21(26-20)30-4)18(14)8-16(12)15-5-6-27(3)11-17(15)22/h7-10,15,17H,5-6,11H2,1-4H3,(H,24,25,26,29)
InChIKeyPWGLXFGIUJTUHI-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.85
Rot. Bonds4

About N-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide

N-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide (PubChem CID 145234432) has the molecular formula C21H25FN6O2 and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide
PubChem CID145234432
Molecular FormulaC21H25FN6O2
Molecular Weight412.47 g/mol
Exact Mass412.20
IUPAC NameN-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide
SMILESCOc1nc(NC(C)=O)cc(-n2ncc3cc(C)c(C4CCN(C)CC4F)cc32)n1
InChIInChI=1S/C21H25FN6O2/c1-12-7-14-10-23-28(20-9-19(24-13(2)29)25-21(26-20)30-4)18(14)8-16(12)15-5-6-27(3)11-17(15)22/h7-10,15,17H,5-6,11H2,1-4H3,(H,24,25,26,29)
InChIKeyPWGLXFGIUJTUHI-UHFFFAOYSA-N
XLogP2.85
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide with MolForge

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Related Compounds

Isobutyl4-(7-amino-5-methyl-3-(3-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenylcarbamate
CID 46891184
4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 54672929
1-[4-[(6R,7R)-6-methyl-7-(5-methyl-1H-indazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 139388519
1-[4-[(6R,7R)-2-[3-(dimethylamino)propoxy]-6-methyl-7-(5-methyl-1H-indazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 139388605
N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411442
cis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 71115128
US10071079, Example 643
CID 132272493
US10071079, Example 925
CID 132272759
2-((8-amino-7-fluoro-6-(2-isopropoxy-4-methylpyrimidin-5-yl)isoquinolin-3-yl)amino)-6-isopropyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one
CID 135342968
(1S,2R,3S)-N-(8-amino-7-fluoro-6-(4-methylpyridin-3-yl)isoquinolin-3-yl)-2-methyl-3-(1-methyl-1H-pyrazol-4-yl)cyclopropanecarboxamide
CID 135343388
N-[4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]-2-(trifluoromethyl)phenyl]acetamide
CID 91800821
1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 661194

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide (CID 145234432) is N-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide is COc1nc(NC(C)=O)cc(-n2ncc3cc(C)c(C4CCN(C)CC4F)cc32)n1.
What is the InChIKey of N-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide?
The InChIKey is PWGLXFGIUJTUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O2/c1-12-7-14-10-23-28(20-9-19(24-13(2)29)25-21(26-20)30-4)18(14)8-16(12)15-5-6-27(3)11-17(15)22/h7-10,15,17H,5-6,11H2,1-4H3,(H,24,25,26,29).
What are the key properties of N-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide?
N-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide has a molecular weight of 412.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide is sourced from PubChem (CID 145234432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).