N-[3-fluoro-2-[2-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]-1,3-thiazol-5-yl]-4-pyridinyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide

C34H22F2N10O2S4 — CID 123974185

IUPACN-[3-fluoro-2-[2-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]-1,3-thiazol-5-yl]-4-pyridinyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
SMILESCn1nc(-c2nccs2)cc1-c1ccc(C(=O)Nc2ccnc(-c3cnc(-c4cc(-c5ccc(C(=O)Nc6ncccc6F)s5)n(C)n4)s3)c2F)s1
InChIInChI=1S/C34H22F2N10O2S4/c1-45-21(14-19(43-45)33-39-12-13-49-33)23-5-7-25(50-23)31(47)41-18-9-11-37-29(28(18)36)27-16-40-34(52-27)20-15-22(46(2)44-20)24-6-8-26(51-24)32(48)42-30-17(35)4-3-10-38-30/h3-16H,1-2H3,(H,37,41,47)(H,38,42,48)
InChIKeyMSSXGQCYDVLELP-UHFFFAOYSA-N
MW768.88 g/mol
LogP8.10
Rot. Bonds9

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

N-[3-fluoro-2-[2-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]-1,3-thiazol-5-yl]-4-pyridinyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide (PubChem CID 123974185) has the molecular formula C34H22F2N10O2S4 and a molecular weight of 768.88 g/mol. Its IUPAC name is N-[3-fluoro-2-[2-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]-1,3-thiazol-5-yl]-4-pyridinyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-2-[2-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]-1,3-thiazol-5-yl]-4-pyridinyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
PubChem CID123974185
Molecular FormulaC34H22F2N10O2S4
Molecular Weight768.88 g/mol
Exact Mass768.08
IUPAC NameN-[3-fluoro-2-[2-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]-1,3-thiazol-5-yl]-4-pyridinyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
SMILESCn1nc(-c2nccs2)cc1-c1ccc(C(=O)Nc2ccnc(-c3cnc(-c4cc(-c5ccc(C(=O)Nc6ncccc6F)s5)n(C)n4)s3)c2F)s1
InChIInChI=1S/C34H22F2N10O2S4/c1-45-21(14-19(43-45)33-39-12-13-49-33)23-5-7-25(50-23)31(47)41-18-9-11-37-29(28(18)36)27-16-40-34(52-27)20-15-22(46(2)44-20)24-6-8-26(51-24)32(48)42-30-17(35)4-3-10-38-30/h3-16H,1-2H3,(H,37,41,47)(H,38,42,48)
InChIKeyMSSXGQCYDVLELP-UHFFFAOYSA-N
XLogP8.10
TPSA145.40 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500768.88
LogP ≤ 58.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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

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Related Compounds

N-(3-fluoro-2-pyridinyl)-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
CID 68062176
N-(3-fluoro-4-pyridinyl)-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
CID 68062373
N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
CID 68062374
N-(5-chloro-3-fluoro-2-pyridinyl)-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
CID 68062375
N-[5-[5-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide
CID 45280082
2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide
CID 45280698
3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 56848301
2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide
CID 58486748
2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 58486867
N-(3-fluoro-5-methyl-2-pyridinyl)-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
CID 68062175
N-[1,3-bis(2-methyl-1,3-thiazol-4-yl)pyrazol-4-yl]-2,6-difluorobenzamide
CID 69401854
N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide
CID 118009422

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-2-[2-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]-1,3-thiazol-5-yl]-4-pyridinyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-fluoro-2-[2-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]-1,3-thiazol-5-yl]-4-pyridinyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide (CID 123974185) is N-[3-fluoro-2-[2-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]-1,3-thiazol-5-yl]-4-pyridinyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-2-[2-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]-1,3-thiazol-5-yl]-4-pyridinyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-fluoro-2-[2-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]-1,3-thiazol-5-yl]-4-pyridinyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide is Cn1nc(-c2nccs2)cc1-c1ccc(C(=O)Nc2ccnc(-c3cnc(-c4cc(-c5ccc(C(=O)Nc6ncccc6F)s5)n(C)n4)s3)c2F)s1.
What is the InChIKey of N-[3-fluoro-2-[2-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]-1,3-thiazol-5-yl]-4-pyridinyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide?
The InChIKey is MSSXGQCYDVLELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22F2N10O2S4/c1-45-21(14-19(43-45)33-39-12-13-49-33)23-5-7-25(50-23)31(47)41-18-9-11-37-29(28(18)36)27-16-40-34(52-27)20-15-22(46(2)44-20)24-6-8-26(51-24)32(48)42-30-17(35)4-3-10-38-30/h3-16H,1-2H3,(H,37,41,47)(H,38,42,48).
What are the key properties of N-[3-fluoro-2-[2-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]-1,3-thiazol-5-yl]-4-pyridinyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide?
N-[3-fluoro-2-[2-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]-1,3-thiazol-5-yl]-4-pyridinyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide has a molecular weight of 768.88 g/mol, XLogP of 8.10, 9 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-2-[2-[5-[5-[(3-fluoro-2-pyridinyl)carbamoyl]thiophen-2-yl]-1-methylpyrazol-3-yl]-1,3-thiazol-5-yl]-4-pyridinyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 123974185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).