(4-cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone

C21H27N7O — CID 165415376

IUPAC(4-cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone
SMILESO=C(c1nc(C2CC2)cnc1Nc1cncnc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H27N7O/c29-21(28-9-7-27(8-10-28)17-3-1-2-4-17)19-20(25-16-11-22-14-23-12-16)24-13-18(26-19)15-5-6-15/h11-15,17H,1-10H2,(H,24,25)
InChIKeyJXHYRXWAGMTMRK-UHFFFAOYSA-N
MW393.50 g/mol
LogP2.59
Rot. Bonds5

About (4-cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone

(4-cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone (PubChem CID 165415376) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone
PubChem CID165415376
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone
SMILESO=C(c1nc(C2CC2)cnc1Nc1cncnc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H27N7O/c29-21(28-9-7-27(8-10-28)17-3-1-2-4-17)19-20(25-16-11-22-14-23-12-16)24-13-18(26-19)15-5-6-15/h11-15,17H,1-10H2,(H,24,25)
InChIKeyJXHYRXWAGMTMRK-UHFFFAOYSA-N
XLogP2.59
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone (CID 165415376) is (4-cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone is O=C(c1nc(C2CC2)cnc1Nc1cncnc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone?
The InChIKey is JXHYRXWAGMTMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O/c29-21(28-9-7-27(8-10-28)17-3-1-2-4-17)19-20(25-16-11-22-14-23-12-16)24-13-18(26-19)15-5-6-15/h11-15,17H,1-10H2,(H,24,25).
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone?
(4-cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone has a molecular weight of 393.50 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 165415376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).