7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane

C47H47ClF2N12 — CID 157212395

IUPAC7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane
SMILESC.CC(CN)c1c[nH]c2ccccc12.Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCC(C)c3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C23H21FN6.C12H8ClFN4.C11H14N2.CH4/c1-14(19-13-26-20-6-4-3-5-18(19)20)9-27-22-8-21(16-7-17(24)12-25-11-16)29-23-15(2)10-28-30(22)23;1-7-4-16-18-11(13)3-10(17-12(7)18)8-2-9(14)6-15-5-8;1-8(6-12)10-7-13-11-5-3-2-4-9(10)11;/h3-8,10-14,26-27H,9H2,1-2H3;2-6H,1H3;2-5,7-8,13H,6,12H2,1H3;1H4
InChIKeyASAMZWOOTJMODR-UHFFFAOYSA-N
MW853.43 g/mol
LogP10.69
Rot. Bonds8

About 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane

7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane (PubChem CID 157212395) has the molecular formula C47H47ClF2N12 and a molecular weight of 853.43 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-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane.

Molecular Properties

Compound Name7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane
PubChem CID157212395
Molecular FormulaC47H47ClF2N12
Molecular Weight853.43 g/mol
Exact Mass852.37
IUPAC Name7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane
SMILESC.CC(CN)c1c[nH]c2ccccc12.Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCC(C)c3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C23H21FN6.C12H8ClFN4.C11H14N2.CH4/c1-14(19-13-26-20-6-4-3-5-18(19)20)9-27-22-8-21(16-7-17(24)12-25-11-16)29-23-15(2)10-28-30(22)23;1-7-4-16-18-11(13)3-10(17-12(7)18)8-2-9(14)6-15-5-8;1-8(6-12)10-7-13-11-5-3-2-4-9(10)11;/h3-8,10-14,26-27H,9H2,1-2H3;2-6H,1H3;2-5,7-8,13H,6,12H2,1H3;1H4
InChIKeyASAMZWOOTJMODR-UHFFFAOYSA-N
XLogP10.69
TPSA155.79 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.43
LogP ≤ 510.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane with MolForge

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Related Compounds

7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
7-[2-chloro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836540
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836857
3-(7-fluoro-1H-indazol-4-yl)-7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836964
3-(7-fluoro-1H-indazol-4-yl)-7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836965
7-(2,6-Difluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(7-fluoro-1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836966
7-[4-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,6-difluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837300
7-[2,6-difluoro-4-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837301

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-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane?
The IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane (CID 157212395) is 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane.
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-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane?
The canonical SMILES for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane is C.CC(CN)c1c[nH]c2ccccc12.Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCC(C)c3c[nH]c4ccccc34)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-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane?
The InChIKey is ASAMZWOOTJMODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6.C12H8ClFN4.C11H14N2.CH4/c1-14(19-13-26-20-6-4-3-5-18(19)20)9-27-22-8-21(16-7-17(24)12-25-11-16)29-23-15(2)10-28-30(22)23;1-7-4-16-18-11(13)3-10(17-12(7)18)8-2-9(14)6-15-5-8;1-8(6-12)10-7-13-11-5-3-2-4-9(10)11;/h3-8,10-14,26-27H,9H2,1-2H3;2-6H,1H3;2-5,7-8,13H,6,12H2,1H3;1H4.
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-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane?
7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane has a molecular weight of 853.43 g/mol, XLogP of 10.69, 8 rotatable bonds, 4 hydrogen bond donors, and 10 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-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane is sourced from PubChem (CID 157212395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).