3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine

C31H29N5O2 — CID 134307264

IUPAC3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(-c2c(Nc3ccncc3)nc3c(C4=CCCCC4)c(-c4ccccc4)nn3c2OC)cc1
InChIInChI=1S/C31H29N5O2/c1-37-25-15-13-22(14-16-25)27-29(33-24-17-19-32-20-18-24)34-30-26(21-9-5-3-6-10-21)28(23-11-7-4-8-12-23)35-36(30)31(27)38-2/h4,7-9,11-20H,3,5-6,10H2,1-2H3,(H,32,33,34)
InChIKeyTUCTUETZHXEDGE-UHFFFAOYSA-N
MW503.61 g/mol
LogP7.18
Rot. Bonds7

About 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine

3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 134307264) has the molecular formula C31H29N5O2 and a molecular weight of 503.61 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID134307264
Molecular FormulaC31H29N5O2
Molecular Weight503.61 g/mol
Exact Mass503.23
IUPAC Name3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(-c2c(Nc3ccncc3)nc3c(C4=CCCCC4)c(-c4ccccc4)nn3c2OC)cc1
InChIInChI=1S/C31H29N5O2/c1-37-25-15-13-22(14-16-25)27-29(33-24-17-19-32-20-18-24)34-30-26(21-9-5-3-6-10-21)28(23-11-7-4-8-12-23)35-36(30)31(27)38-2/h4,7-9,11-20H,3,5-6,10H2,1-2H3,(H,32,33,34)
InChIKeyTUCTUETZHXEDGE-UHFFFAOYSA-N
XLogP7.18
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 134307264) is 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is COc1ccc(-c2c(Nc3ccncc3)nc3c(C4=CCCCC4)c(-c4ccccc4)nn3c2OC)cc1.
What is the InChIKey of 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is TUCTUETZHXEDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O2/c1-37-25-15-13-22(14-16-25)27-29(33-24-17-19-32-20-18-24)34-30-26(21-9-5-3-6-10-21)28(23-11-7-4-8-12-23)35-36(30)31(27)38-2/h4,7-9,11-20H,3,5-6,10H2,1-2H3,(H,32,33,34).
What are the key properties of 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 503.61 g/mol, XLogP of 7.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 134307264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).