N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide

C25H19F2N5O4S2 — CID 58255815

IUPACN-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3csc(C)n3)c3cn[nH]c3c2)cc1CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C25H19F2N5O4S2/c1-13-30-22(11-37-13)24(33)31-20-6-14(7-21-18(20)10-29-32-21)15-5-16(25(36-2)28-9-15)12-38(34,35)23-4-3-17(26)8-19(23)27/h3-11H,12H2,1-2H3,(H,29,32)(H,31,33)
InChIKeyULMONYVRMVFRTN-UHFFFAOYSA-N
MW555.59 g/mol
LogP4.90
Rot. Bonds7

About N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 58255815) has the molecular formula C25H19F2N5O4S2 and a molecular weight of 555.59 g/mol. Its IUPAC name is N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID58255815
Molecular FormulaC25H19F2N5O4S2
Molecular Weight555.59 g/mol
Exact Mass555.08
IUPAC NameN-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3csc(C)n3)c3cn[nH]c3c2)cc1CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C25H19F2N5O4S2/c1-13-30-22(11-37-13)24(33)31-20-6-14(7-21-18(20)10-29-32-21)15-5-16(25(36-2)28-9-15)12-38(34,35)23-4-3-17(26)8-19(23)27/h3-11H,12H2,1-2H3,(H,29,32)(H,31,33)
InChIKeyULMONYVRMVFRTN-UHFFFAOYSA-N
XLogP4.90
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.59
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 58255815) is N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide is COc1ncc(-c2cc(NC(=O)c3csc(C)n3)c3cn[nH]c3c2)cc1CS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is ULMONYVRMVFRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N5O4S2/c1-13-30-22(11-37-13)24(33)31-20-6-14(7-21-18(20)10-29-32-21)15-5-16(25(36-2)28-9-15)12-38(34,35)23-4-3-17(26)8-19(23)27/h3-11H,12H2,1-2H3,(H,29,32)(H,31,33).
What are the key properties of N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 555.59 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58255815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).