4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]phenol

C23H26N6O — CID 137348376

IUPAC4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]phenol
SMILESCN1CCN(c2cccc(-c3cnn4c3N=CC(c3ccc(O)cc3)C4N)c2)CC1
InChIInChI=1S/C23H26N6O/c1-27-9-11-28(12-10-27)18-4-2-3-17(13-18)21-15-26-29-22(24)20(14-25-23(21)29)16-5-7-19(30)8-6-16/h2-8,13-15,20,22,30H,9-12,24H2,1H3
InChIKeyKIMZUJNGIVVWNZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.96
Rot. Bonds3

About 4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]phenol

4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]phenol (PubChem CID 137348376) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]phenol.

Molecular Properties

Compound Name4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]phenol
PubChem CID137348376
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]phenol
SMILESCN1CCN(c2cccc(-c3cnn4c3N=CC(c3ccc(O)cc3)C4N)c2)CC1
InChIInChI=1S/C23H26N6O/c1-27-9-11-28(12-10-27)18-4-2-3-17(13-18)21-15-26-29-22(24)20(14-25-23(21)29)16-5-7-19(30)8-6-16/h2-8,13-15,20,22,30H,9-12,24H2,1H3
InChIKeyKIMZUJNGIVVWNZ-UHFFFAOYSA-N
XLogP2.96
TPSA82.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine
CID 141166517
4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68700957
1-methyl-4-[3-(1-methylpyrazol-4-yl)phenyl]piperazine
CID 137468196
1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine
CID 175938497
6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 143649548
3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol
CID 11568173
1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174707727
1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine
CID 90364267
4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole
CID 176859206
3-[4-(4-methylpiperazin-1-yl)pyrazol-1-yl]aniline
CID 175775411
6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 11697777
1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone
CID 143649558

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]phenol?
The IUPAC name of 4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]phenol (CID 137348376) is 4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]phenol.
What is the SMILES notation for 4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]phenol?
The canonical SMILES for 4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]phenol is CN1CCN(c2cccc(-c3cnn4c3N=CC(c3ccc(O)cc3)C4N)c2)CC1.
What is the InChIKey of 4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]phenol?
The InChIKey is KIMZUJNGIVVWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-27-9-11-28(12-10-27)18-4-2-3-17(13-18)21-15-26-29-22(24)20(14-25-23(21)29)16-5-7-19(30)8-6-16/h2-8,13-15,20,22,30H,9-12,24H2,1H3.
What are the key properties of 4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]phenol?
4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]phenol has a molecular weight of 402.50 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]phenol is sourced from PubChem (CID 137348376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).