7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine

C62H59ClF3N15O3 — CID 157115352

IUPAC7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CCN)c1.COc1cccc(CCNc2cc(-c3cncc(F)c3)nc3c(C)cnn23)c1.Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCCc3cccc(O)c3)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C21H20FN5O.C20H18FN5O.C12H8ClFN4.C9H13NO/c1-14-11-25-27-20(24-7-6-15-4-3-5-18(8-15)28-2)10-19(26-21(14)27)16-9-17(22)13-23-12-16;1-13-10-24-26-19(23-6-5-14-3-2-4-17(27)7-14)9-18(25-20(13)26)15-8-16(21)12-22-11-15;1-7-4-16-18-11(13)3-10(17-12(7)18)8-2-9(14)6-15-5-8;1-11-9-4-2-3-8(7-9)5-6-10/h3-5,8-13,24H,6-7H2,1-2H3;2-4,7-12,23,27H,5-6H2,1H3;2-6H,1H3;2-4,7H,5-6,10H2,1H3
InChIKeyAHIHDQFYFBGQEV-UHFFFAOYSA-N
MW1154.70 g/mol
LogP11.59
Rot. Bonds15

About 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine

7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine (PubChem CID 157115352) has the molecular formula C62H59ClF3N15O3 and a molecular weight of 1154.70 g/mol. Its IUPAC name is 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine
PubChem CID157115352
Molecular FormulaC62H59ClF3N15O3
Molecular Weight1154.70 g/mol
Exact Mass1153.46
IUPAC Name7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CCN)c1.COc1cccc(CCNc2cc(-c3cncc(F)c3)nc3c(C)cnn23)c1.Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCCc3cccc(O)c3)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C21H20FN5O.C20H18FN5O.C12H8ClFN4.C9H13NO/c1-14-11-25-27-20(24-7-6-15-4-3-5-18(8-15)28-2)10-19(26-21(14)27)16-9-17(22)13-23-12-16;1-13-10-24-26-19(23-6-5-14-3-2-4-17(27)7-14)9-18(25-20(13)26)15-8-16(21)12-22-11-15;1-7-4-16-18-11(13)3-10(17-12(7)18)8-2-9(14)6-15-5-8;1-11-9-4-2-3-8(7-9)5-6-10/h3-5,8-13,24H,6-7H2,1-2H3;2-4,7-12,23,27H,5-6H2,1H3;2-6H,1H3;2-4,7H,5-6,10H2,1H3
InChIKeyAHIHDQFYFBGQEV-UHFFFAOYSA-N
XLogP11.59
TPSA218.01 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001154.70
LogP ≤ 511.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine with MolForge

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Related Compounds

7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879452
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(4-fluoro-3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879517
7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 59177940
3-(4-chloro-3-methoxyphenyl)-7-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 59177949
3-(4-chloro-3-methoxyphenyl)-7-[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 66876968
3-(4-Chloro-3-methoxyphenyl)-7-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 72535780
7-[4-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl]-3-(3-methoxyphenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 75223636
7-[4-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)phenyl]-3-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 75223649
N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118211121
4-[3-[[3-(difluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118216473
4-[3-[(4-fluoro-3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118216495
N-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-2-[[4-[(6-methoxy-2-pyridinyl)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118481983

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine (CID 157115352) is 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine is COc1cccc(CCN)c1.COc1cccc(CCNc2cc(-c3cncc(F)c3)nc3c(C)cnn23)c1.Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCCc3cccc(O)c3)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine?
The InChIKey is AHIHDQFYFBGQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O.C20H18FN5O.C12H8ClFN4.C9H13NO/c1-14-11-25-27-20(24-7-6-15-4-3-5-18(8-15)28-2)10-19(26-21(14)27)16-9-17(22)13-23-12-16;1-13-10-24-26-19(23-6-5-14-3-2-4-17(27)7-14)9-18(25-20(13)26)15-8-16(21)12-22-11-15;1-7-4-16-18-11(13)3-10(17-12(7)18)8-2-9(14)6-15-5-8;1-11-9-4-2-3-8(7-9)5-6-10/h3-5,8-13,24H,6-7H2,1-2H3;2-4,7-12,23,27H,5-6H2,1H3;2-6H,1H3;2-4,7H,5-6,10H2,1H3.
What are the key properties of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine?
7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine has a molecular weight of 1154.70 g/mol, XLogP of 11.59, 15 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(3-methoxyphenyl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]phenol;2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 157115352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).