6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C22H23BrN6O — CID 121408231

IUPAC6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOC1CCC(c2nc3c(-c4cnn(-c5ccccc5)c4)cnn3c(N)c2Br)CC1
InChIInChI=1S/C22H23BrN6O/c1-30-17-9-7-14(8-10-17)20-19(23)21(24)29-22(27-20)18(12-26-29)15-11-25-28(13-15)16-5-3-2-4-6-16/h2-6,11-14,17H,7-10,24H2,1H3
InChIKeyVYRLNBUIAZGMDN-UHFFFAOYSA-N
MW467.37 g/mol
LogP4.60
Rot. Bonds4

About 6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 121408231) has the molecular formula C22H23BrN6O and a molecular weight of 467.37 g/mol. Its IUPAC name is 6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID121408231
Molecular FormulaC22H23BrN6O
Molecular Weight467.37 g/mol
Exact Mass466.11
IUPAC Name6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOC1CCC(c2nc3c(-c4cnn(-c5ccccc5)c4)cnn3c(N)c2Br)CC1
InChIInChI=1S/C22H23BrN6O/c1-30-17-9-7-14(8-10-17)20-19(23)21(24)29-22(27-20)18(12-26-29)15-11-25-28(13-15)16-5-3-2-4-6-16/h2-6,11-14,17H,7-10,24H2,1H3
InChIKeyVYRLNBUIAZGMDN-UHFFFAOYSA-N
XLogP4.60
TPSA83.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 121408231) is 6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is COC1CCC(c2nc3c(-c4cnn(-c5ccccc5)c4)cnn3c(N)c2Br)CC1.
What is the InChIKey of 6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VYRLNBUIAZGMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN6O/c1-30-17-9-7-14(8-10-17)20-19(23)21(24)29-22(27-20)18(12-26-29)15-11-25-28(13-15)16-5-3-2-4-6-16/h2-6,11-14,17H,7-10,24H2,1H3.
What are the key properties of 6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 467.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 121408231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).