(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C23H22N6O — CID 55791893

IUPAC(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C23H22N6O/c30-23(28-14-12-27(13-15-28)17-18-6-9-24-10-7-18)20-16-26-29-21(8-11-25-22(20)29)19-4-2-1-3-5-19/h1-11,16H,12-15,17H2
InChIKeyDSFAPZVCFAOOKI-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.75
Rot. Bonds4

About (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 55791893) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID55791893
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C23H22N6O/c30-23(28-14-12-27(13-15-28)17-18-6-9-24-10-7-18)20-16-26-29-21(8-11-25-22(20)29)19-4-2-1-3-5-19/h1-11,16H,12-15,17H2
InChIKeyDSFAPZVCFAOOKI-UHFFFAOYSA-N
XLogP2.75
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 46974593
(4-methylpiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 24716873
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19327477
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46493183
[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46074581
N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55789547
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 19323677
(3-hydroxypiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 110900762
(4-benzylpiperidin-1-yl)-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074606
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19572343
(4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46050174
(4-benzylpiperidin-1-yl)-[7-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074651

Frequently Asked Questions

What is the IUPAC name of (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 55791893) is (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is DSFAPZVCFAOOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c30-23(28-14-12-27(13-15-28)17-18-6-9-24-10-7-18)20-16-26-29-21(8-11-25-22(20)29)19-4-2-1-3-5-19/h1-11,16H,12-15,17H2.
What are the key properties of (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 398.47 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55791893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).