5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole

C45H39F2N7OS — CID 157392108

IUPAC5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
SMILESCc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCC4CCN(C)CC4)c3c2)ccc1F.Fc1ccccc1-c1ncccc1-c1ccc2ncsc2c1
InChIInChI=1S/C27H28FN5O.C18H11FN2S/c1-18-14-21(5-6-24(18)28)26-22(4-3-10-29-26)20-9-13-33-25(15-20)23(17-31-33)27(34)30-16-19-7-11-32(2)12-8-19;19-15-6-2-1-4-14(15)18-13(5-3-9-20-18)12-7-8-16-17(10-12)22-11-21-16/h3-6,9-10,13-15,17,19H,7-8,11-12,16H2,1-2H3,(H,30,34);1-11H
InChIKeyBMDAUJJERIGTQT-UHFFFAOYSA-N
MW763.92 g/mol
LogP9.75
Rot. Bonds7

About 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole

5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole (PubChem CID 157392108) has the molecular formula C45H39F2N7OS and a molecular weight of 763.92 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
PubChem CID157392108
Molecular FormulaC45H39F2N7OS
Molecular Weight763.92 g/mol
Exact Mass763.29
IUPAC Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
SMILESCc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCC4CCN(C)CC4)c3c2)ccc1F.Fc1ccccc1-c1ncccc1-c1ccc2ncsc2c1
InChIInChI=1S/C27H28FN5O.C18H11FN2S/c1-18-14-21(5-6-24(18)28)26-22(4-3-10-29-26)20-9-13-33-25(15-20)23(17-31-33)27(34)30-16-19-7-11-32(2)12-8-19;19-15-6-2-1-4-14(15)18-13(5-3-9-20-18)12-7-8-16-17(10-12)22-11-21-16/h3-6,9-10,13-15,17,19H,7-8,11-12,16H2,1-2H3,(H,30,34);1-11H
InChIKeyBMDAUJJERIGTQT-UHFFFAOYSA-N
XLogP9.75
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.92
LogP ≤ 59.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 149127800
US10294217, Example 45
CID 126674026
3-amino-N-[2-[3-[1-(difluoromethyl)pyrazol-4-yl]-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 141734560
US9796741, cmp No. 34
CID 118323748
US10822352, Comp No. 34
CID 118334299
US9796741, cmp No. 41
CID 118334302
1,3-benzothiazol-6-yl-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 164634255
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide
CID 60042119
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide
CID 67234114
3-(1,3-benzothiazol-6-yl)-N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-1H-indazole-5-carboxamide
CID 70652309
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599180
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127732

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
The IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole (CID 157392108) is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole is Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCC4CCN(C)CC4)c3c2)ccc1F.Fc1ccccc1-c1ncccc1-c1ccc2ncsc2c1.
What is the InChIKey of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
The InChIKey is BMDAUJJERIGTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O.C18H11FN2S/c1-18-14-21(5-6-24(18)28)26-22(4-3-10-29-26)20-9-13-33-25(15-20)23(17-31-33)27(34)30-16-19-7-11-32(2)12-8-19;19-15-6-2-1-4-14(15)18-13(5-3-9-20-18)12-7-8-16-17(10-12)22-11-21-16/h3-6,9-10,13-15,17,19H,7-8,11-12,16H2,1-2H3,(H,30,34);1-11H.
What are the key properties of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 763.92 g/mol, XLogP of 9.75, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 157392108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).