6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide

C26H23F2N7O3S — CID 19509902

IUPAC6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4cc(-c5cccc(OC)c5)n[nH]4)c23)c(C)n1
InChIInChI=1S/C26H23F2N7O3S/c1-4-35-11-16(12(2)34-35)15-9-18(23(27)28)30-26-20(15)21(22(39-26)24(29)36)31-25(37)19-10-17(32-33-19)13-6-5-7-14(8-13)38-3/h5-11,23H,4H2,1-3H3,(H2,29,36)(H,31,37)(H,32,33)
InChIKeyMSMDNEXNHFRSNC-UHFFFAOYSA-N
MW551.58 g/mol
LogP5.18
Rot. Bonds8

About 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19509902) has the molecular formula C26H23F2N7O3S and a molecular weight of 551.58 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19509902
Molecular FormulaC26H23F2N7O3S
Molecular Weight551.58 g/mol
Exact Mass551.16
IUPAC Name6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4cc(-c5cccc(OC)c5)n[nH]4)c23)c(C)n1
InChIInChI=1S/C26H23F2N7O3S/c1-4-35-11-16(12(2)34-35)15-9-18(23(27)28)30-26-20(15)21(22(39-26)24(29)36)31-25(37)19-10-17(32-33-19)13-6-5-7-14(8-13)38-3/h5-11,23H,4H2,1-3H3,(H2,29,36)(H,31,37)(H,32,33)
InChIKeyMSMDNEXNHFRSNC-UHFFFAOYSA-N
XLogP5.18
TPSA140.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.58
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 3240479
3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856300
N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 60162759
N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-thiazole-4-carboxamide
CID 60163290
N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 60163535
N-[3-(furan-3-yl)-1H-indazol-5-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 155128864
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 124085686
2-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
CID 4766833
N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 90354569
N-[(3-fluoro-4-methoxyphenyl)methyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 117916983
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)-6-thiophen-3-ylpyridine-3-carboxamide
CID 132081700
2-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]-9-methyl-7-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
CID 135636165

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19509902) is 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is CCn1cc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4cc(-c5cccc(OC)c5)n[nH]4)c23)c(C)n1.
What is the InChIKey of 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MSMDNEXNHFRSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N7O3S/c1-4-35-11-16(12(2)34-35)15-9-18(23(27)28)30-26-20(15)21(22(39-26)24(29)36)31-25(37)19-10-17(32-33-19)13-6-5-7-14(8-13)38-3/h5-11,23H,4H2,1-3H3,(H2,29,36)(H,31,37)(H,32,33).
What are the key properties of 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 551.58 g/mol, XLogP of 5.18, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19509902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).