5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide

C25H27FN6O2 — CID 139448043

IUPAC5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide
SMILESCc1ncc(-c2cc3c(C(=O)Nc4ccc(OC5CCN(C)CC5)cc4)n[nH]c3cc2F)n1C
InChIInChI=1S/C25H27FN6O2/c1-15-27-14-23(32(15)3)19-12-20-22(13-21(19)26)29-30-24(20)25(33)28-16-4-6-17(7-5-16)34-18-8-10-31(2)11-9-18/h4-7,12-14,18H,8-11H2,1-3H3,(H,28,33)(H,29,30)
InChIKeyPPPYIIKRGZOHGC-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.14
Rot. Bonds5

About 5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide

5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide (PubChem CID 139448043) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide
PubChem CID139448043
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide
SMILESCc1ncc(-c2cc3c(C(=O)Nc4ccc(OC5CCN(C)CC5)cc4)n[nH]c3cc2F)n1C
InChIInChI=1S/C25H27FN6O2/c1-15-27-14-23(32(15)3)19-12-20-22(13-21(19)26)29-30-24(20)25(33)28-16-4-6-17(7-5-16)34-18-8-10-31(2)11-9-18/h4-7,12-14,18H,8-11H2,1-3H3,(H,28,33)(H,29,30)
InChIKeyPPPYIIKRGZOHGC-UHFFFAOYSA-N
XLogP4.14
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-6-(4-(1-((2-methyl-1H-imidazol-1-yl)methyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 44593414
1-(4-Methoxyphenyl)-6-{4-[1-(1-methyl-1H-imidazol-2-yl)-cyclopropyl]phenyl}3-trifluoromethyl-1,4,5,6-tetrahydro-pyrazolo[3,4-c]pyridin-7-one
CID 9983704
6-(4-(1-(1H-imidazol-2-yl)cyclopropyl)phenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 10345579
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(1H-pyrazol-4-yl)phenyl]benzamide
CID 44189445
3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227299
3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227324
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(1H-pyrazol-3-yl)phenyl]benzamide
CID 136499039
1-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazole-2-carboxamide
CID 9932734
2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
CID 135779171
N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 135779193
6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide
CID 139431409
6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431454

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide (CID 139448043) is 5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide is Cc1ncc(-c2cc3c(C(=O)Nc4ccc(OC5CCN(C)CC5)cc4)n[nH]c3cc2F)n1C.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide?
The InChIKey is PPPYIIKRGZOHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c1-15-27-14-23(32(15)3)19-12-20-22(13-21(19)26)29-30-24(20)25(33)28-16-4-6-17(7-5-16)34-18-8-10-31(2)11-9-18/h4-7,12-14,18H,8-11H2,1-3H3,(H,28,33)(H,29,30).
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide?
5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139448043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).