1-[(dimethylamino)methyl]-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide

C20H21FN4OS — CID 72628062

IUPAC1-[(dimethylamino)methyl]-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide
SMILESCN(C)CC1(C(=O)Nc2cc3c(C=Cc4cccs4)n[nH]c3cc2F)CC1
InChIInChI=1S/C20H21FN4OS/c1-25(2)12-20(7-8-20)19(26)22-18-10-14-16(6-5-13-4-3-9-27-13)23-24-17(14)11-15(18)21/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyWCYUMLRPFNGOHC-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.21
Rot. Bonds6

About 1-[(dimethylamino)methyl]-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide

1-[(dimethylamino)methyl]-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide (PubChem CID 72628062) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[(dimethylamino)methyl]-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(dimethylamino)methyl]-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide
PubChem CID72628062
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC Name1-[(dimethylamino)methyl]-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide
SMILESCN(C)CC1(C(=O)Nc2cc3c(C=Cc4cccs4)n[nH]c3cc2F)CC1
InChIInChI=1S/C20H21FN4OS/c1-25(2)12-20(7-8-20)19(26)22-18-10-14-16(6-5-13-4-3-9-27-13)23-24-17(14)11-15(18)21/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyWCYUMLRPFNGOHC-UHFFFAOYSA-N
XLogP4.21
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylamino)methyl]-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(dimethylamino)methyl]-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide (CID 72628062) is 1-[(dimethylamino)methyl]-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(dimethylamino)methyl]-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(dimethylamino)methyl]-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide is CN(C)CC1(C(=O)Nc2cc3c(C=Cc4cccs4)n[nH]c3cc2F)CC1.
What is the InChIKey of 1-[(dimethylamino)methyl]-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide?
The InChIKey is WCYUMLRPFNGOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c1-25(2)12-20(7-8-20)19(26)22-18-10-14-16(6-5-13-4-3-9-27-13)23-24-17(14)11-15(18)21/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of 1-[(dimethylamino)methyl]-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide?
1-[(dimethylamino)methyl]-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylamino)methyl]-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 72628062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).