(4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone

C26H32N6OS — CID 118757720

IUPAC(4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone
SMILESCc1cnc(-n2ncc(C(=O)N3CCN(C4CCCCC4)CC3)c2C2CC2)nc1-c1cccs1
InChIInChI=1S/C26H32N6OS/c1-18-16-27-26(29-23(18)22-8-5-15-34-22)32-24(19-9-10-19)21(17-28-32)25(33)31-13-11-30(12-14-31)20-6-3-2-4-7-20/h5,8,15-17,19-20H,2-4,6-7,9-14H2,1H3
InChIKeyGOTOIZRJOXDVLS-UHFFFAOYSA-N
MW476.65 g/mol
LogP4.67
Rot. Bonds5

About (4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone

(4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone (PubChem CID 118757720) has the molecular formula C26H32N6OS and a molecular weight of 476.65 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone
PubChem CID118757720
Molecular FormulaC26H32N6OS
Molecular Weight476.65 g/mol
Exact Mass476.24
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone
SMILESCc1cnc(-n2ncc(C(=O)N3CCN(C4CCCCC4)CC3)c2C2CC2)nc1-c1cccs1
InChIInChI=1S/C26H32N6OS/c1-18-16-27-26(29-23(18)22-8-5-15-34-22)32-24(19-9-10-19)21(17-28-32)25(33)31-13-11-30(12-14-31)20-6-3-2-4-7-20/h5,8,15-17,19-20H,2-4,6-7,9-14H2,1H3
InChIKeyGOTOIZRJOXDVLS-UHFFFAOYSA-N
XLogP4.67
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.65
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-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone (CID 118757720) is (4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone is Cc1cnc(-n2ncc(C(=O)N3CCN(C4CCCCC4)CC3)c2C2CC2)nc1-c1cccs1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone?
The InChIKey is GOTOIZRJOXDVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6OS/c1-18-16-27-26(29-23(18)22-8-5-15-34-22)32-24(19-9-10-19)21(17-28-32)25(33)31-13-11-30(12-14-31)20-6-3-2-4-7-20/h5,8,15-17,19-20H,2-4,6-7,9-14H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone has a molecular weight of 476.65 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone is sourced from PubChem (CID 118757720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).