4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol

C24H30N6O — CID 71103655

IUPAC4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol
SMILESCN1CCN(CC2=CCC(c3cnn4c(N)c(C5C=CC(O)=CC5)cnc34)C=C2)CC1
InChIInChI=1S/C24H30N6O/c1-28-10-12-29(13-11-28)16-17-2-4-19(5-3-17)22-15-27-30-23(25)21(14-26-24(22)30)18-6-8-20(31)9-7-18/h2-4,6,8-9,14-15,18-19,31H,5,7,10-13,16,25H2,1H3
InChIKeyUNVVZRQZSILUBM-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.01
Rot. Bonds4

About 4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol

4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol (PubChem CID 71103655) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol
PubChem CID71103655
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol
SMILESCN1CCN(CC2=CCC(c3cnn4c(N)c(C5C=CC(O)=CC5)cnc34)C=C2)CC1
InChIInChI=1S/C24H30N6O/c1-28-10-12-29(13-11-28)16-17-2-4-19(5-3-17)22-15-27-30-23(25)21(14-26-24(22)30)18-6-8-20(31)9-7-18/h2-4,6,8-9,14-15,18-19,31H,5,7,10-13,16,25H2,1H3
InChIKeyUNVVZRQZSILUBM-UHFFFAOYSA-N
XLogP3.01
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol (CID 71103655) is 4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol is CN1CCN(CC2=CCC(c3cnn4c(N)c(C5C=CC(O)=CC5)cnc34)C=C2)CC1.
What is the InChIKey of 4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol?
The InChIKey is UNVVZRQZSILUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-28-10-12-29(13-11-28)16-17-2-4-19(5-3-17)22-15-27-30-23(25)21(14-26-24(22)30)18-6-8-20(31)9-7-18/h2-4,6,8-9,14-15,18-19,31H,5,7,10-13,16,25H2,1H3.
What are the key properties of 4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol?
4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol has a molecular weight of 418.55 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 71103655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).