N-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide

C36H24F2N8O4S2 — CID 123758510

IUPACN-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
SMILESCn1nc(-c2ccco2)cc1-c1ccc(C(=O)Nc2ccnc(-c3ccc(-c4cc(-c5ccc(C(=O)Nc6ncccc6F)s5)n(C)n4)o3)c2F)s1
InChIInChI=1S/C36H24F2N8O4S2/c1-45-23(17-21(43-45)25-6-4-16-49-25)28-9-11-30(51-28)35(47)41-20-13-15-39-33(32(20)38)27-8-7-26(50-27)22-18-24(46(2)44-22)29-10-12-31(52-29)36(48)42-34-19(37)5-3-14-40-34/h3-18H,1-2H3,(H,39,41,47)(H,40,42,48)
InChIKeyNZNHPKQHMIOEFR-UHFFFAOYSA-N
MW734.77 g/mol
LogP8.37
Rot. Bonds9

About N-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide

N-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide (PubChem CID 123758510) has the molecular formula C36H24F2N8O4S2 and a molecular weight of 734.77 g/mol. Its IUPAC name is N-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
PubChem CID123758510
Molecular FormulaC36H24F2N8O4S2
Molecular Weight734.77 g/mol
Exact Mass734.13
IUPAC NameN-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
SMILESCn1nc(-c2ccco2)cc1-c1ccc(C(=O)Nc2ccnc(-c3ccc(-c4cc(-c5ccc(C(=O)Nc6ncccc6F)s5)n(C)n4)o3)c2F)s1
InChIInChI=1S/C36H24F2N8O4S2/c1-45-23(17-21(43-45)25-6-4-16-49-25)28-9-11-30(51-28)35(47)41-20-13-15-39-33(32(20)38)27-8-7-26(50-27)22-18-24(46(2)44-22)29-10-12-31(52-29)36(48)42-34-19(37)5-3-14-40-34/h3-18H,1-2H3,(H,39,41,47)(H,40,42,48)
InChIKeyNZNHPKQHMIOEFR-UHFFFAOYSA-N
XLogP8.37
TPSA145.90 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500734.77
LogP ≤ 58.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(3-fluoro-2-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062163
N-(3,5-difluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062382
N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062384
N-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062385
N-(3-fluoro-5-methyl-2-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062169
2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 159749631
5-(5-ethylthiophen-2-yl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19398299
N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19400372
5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19400583
2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine
CID 141158603
N-(3-fluoro-2-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 144338863
N-(3-fluoro-5-methyl-2-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide;N-(3-fluoro-2-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 159560920

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide (CID 123758510) is N-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide is Cn1nc(-c2ccco2)cc1-c1ccc(C(=O)Nc2ccnc(-c3ccc(-c4cc(-c5ccc(C(=O)Nc6ncccc6F)s5)n(C)n4)o3)c2F)s1.
What is the InChIKey of N-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide?
The InChIKey is NZNHPKQHMIOEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24F2N8O4S2/c1-45-23(17-21(43-45)25-6-4-16-49-25)28-9-11-30(51-28)35(47)41-20-13-15-39-33(32(20)38)27-8-7-26(50-27)22-18-24(46(2)44-22)29-10-12-31(52-29)36(48)42-34-19(37)5-3-14-40-34/h3-18H,1-2H3,(H,39,41,47)(H,40,42,48).
What are the key properties of N-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide?
N-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide has a molecular weight of 734.77 g/mol, XLogP of 8.37, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-2-[5-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]furan-2-yl]-4-pyridinyl]-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 123758510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).