3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C37H33BrN12 — CID 157488052

IUPAC3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCNc1ncc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1.Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H17N5.C18H16BrN7/c1-14-11-22-24-18(21-13-15-6-5-9-20-12-15)10-17(23-19(14)24)16-7-3-2-4-8-16;1-20-18-22-9-12(10-23-18)8-21-16-7-15(13-5-3-2-4-6-13)25-17-14(19)11-24-26(16)17/h2-12,21H,13H2,1H3;2-7,9-11,21H,8H2,1H3,(H,20,22,23)
InChIKeyBWYGAJBPWYPQLY-UHFFFAOYSA-N
MW725.66 g/mol
LogP7.31
Rot. Bonds9

About 3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157488052) has the molecular formula C37H33BrN12 and a molecular weight of 725.66 g/mol. Its IUPAC name is 3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID157488052
Molecular FormulaC37H33BrN12
Molecular Weight725.66 g/mol
Exact Mass724.21
IUPAC Name3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCNc1ncc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1.Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H17N5.C18H16BrN7/c1-14-11-22-24-18(21-13-15-6-5-9-20-12-15)10-17(23-19(14)24)16-7-3-2-4-8-16;1-20-18-22-9-12(10-23-18)8-21-16-7-15(13-5-3-2-4-6-13)25-17-14(19)11-24-26(16)17/h2-12,21H,13H2,1H3;2-7,9-11,21H,8H2,1H3,(H,20,22,23)
InChIKeyBWYGAJBPWYPQLY-UHFFFAOYSA-N
XLogP7.31
TPSA135.14 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500725.66
LogP ≤ 57.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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CID 10317619
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
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CID 11304412
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1-{1-[4-(3-phenyl-5-pyrimidin-2-ylpyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 157488052) is 3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CNc1ncc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1.Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BWYGAJBPWYPQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5.C18H16BrN7/c1-14-11-22-24-18(21-13-15-6-5-9-20-12-15)10-17(23-19(14)24)16-7-3-2-4-8-16;1-20-18-22-9-12(10-23-18)8-21-16-7-15(13-5-3-2-4-6-13)25-17-14(19)11-24-26(16)17/h2-12,21H,13H2,1H3;2-7,9-11,21H,8H2,1H3,(H,20,22,23).
What are the key properties of 3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 725.66 g/mol, XLogP of 7.31, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157488052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).