[4-[2-(3-chlorophenyl)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone

C26H21ClN6O2 — CID 44630541

IUPAC[4-[2-(3-chlorophenyl)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(c2cc(-c3ccncc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1
InChIInChI=1S/C26H21ClN6O2/c27-21-3-1-2-19(14-21)23-15-24-29-22(18-4-7-28-8-5-18)16-25(33(24)30-23)31-9-11-32(12-10-31)26(34)20-6-13-35-17-20/h1-8,13-17H,9-12H2
InChIKeyJFVCRRUHGZMQLW-UHFFFAOYSA-N
MW484.95 g/mol
LogP4.67
Rot. Bonds4

About [4-[2-(3-chlorophenyl)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone

[4-[2-(3-chlorophenyl)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 44630541) has the molecular formula C26H21ClN6O2 and a molecular weight of 484.95 g/mol. Its IUPAC name is [4-[2-(3-chlorophenyl)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(3-chlorophenyl)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID44630541
Molecular FormulaC26H21ClN6O2
Molecular Weight484.95 g/mol
Exact Mass484.14
IUPAC Name[4-[2-(3-chlorophenyl)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(c2cc(-c3ccncc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1
InChIInChI=1S/C26H21ClN6O2/c27-21-3-1-2-19(14-21)23-15-24-29-22(18-4-7-28-8-5-18)16-25(33(24)30-23)31-9-11-32(12-10-31)26(34)20-6-13-35-17-20/h1-8,13-17H,9-12H2
InChIKeyJFVCRRUHGZMQLW-UHFFFAOYSA-N
XLogP4.67
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.95
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-chlorophenyl)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[2-(3-chlorophenyl)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone (CID 44630541) is [4-[2-(3-chlorophenyl)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[2-(3-chlorophenyl)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[2-(3-chlorophenyl)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCN(c2cc(-c3ccncc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1.
What is the InChIKey of [4-[2-(3-chlorophenyl)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is JFVCRRUHGZMQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN6O2/c27-21-3-1-2-19(14-21)23-15-24-29-22(18-4-7-28-8-5-18)16-25(33(24)30-23)31-9-11-32(12-10-31)26(34)20-6-13-35-17-20/h1-8,13-17H,9-12H2.
What are the key properties of [4-[2-(3-chlorophenyl)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone?
[4-[2-(3-chlorophenyl)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 484.95 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-chlorophenyl)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 44630541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).