2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine

C24H31FN8 — CID 66602234

IUPAC2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine
SMILESCc1n[nH]c(C)c1C(c1ccccn1)N1CCN(c2nccnc2N2CCC(F)CC2)CC1
InChIInChI=1S/C24H31FN8/c1-17-21(18(2)30-29-17)22(20-5-3-4-8-26-20)31-13-15-33(16-14-31)24-23(27-9-10-28-24)32-11-6-19(25)7-12-32/h3-5,8-10,19,22H,6-7,11-16H2,1-2H3,(H,29,30)
InChIKeyZSJSMVFSYDOMPQ-UHFFFAOYSA-N
MW450.57 g/mol
LogP3.06
Rot. Bonds5

About 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine

2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine (PubChem CID 66602234) has the molecular formula C24H31FN8 and a molecular weight of 450.57 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine
PubChem CID66602234
Molecular FormulaC24H31FN8
Molecular Weight450.57 g/mol
Exact Mass450.27
IUPAC Name2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine
SMILESCc1n[nH]c(C)c1C(c1ccccn1)N1CCN(c2nccnc2N2CCC(F)CC2)CC1
InChIInChI=1S/C24H31FN8/c1-17-21(18(2)30-29-17)22(20-5-3-4-8-26-20)31-13-15-33(16-14-31)24-23(27-9-10-28-24)32-11-6-19(25)7-12-32/h3-5,8-10,19,22H,6-7,11-16H2,1-2H3,(H,29,30)
InChIKeyZSJSMVFSYDOMPQ-UHFFFAOYSA-N
XLogP3.06
TPSA77.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine?
The IUPAC name of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine (CID 66602234) is 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine is Cc1n[nH]c(C)c1C(c1ccccn1)N1CCN(c2nccnc2N2CCC(F)CC2)CC1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine?
The InChIKey is ZSJSMVFSYDOMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN8/c1-17-21(18(2)30-29-17)22(20-5-3-4-8-26-20)31-13-15-33(16-14-31)24-23(27-9-10-28-24)32-11-6-19(25)7-12-32/h3-5,8-10,19,22H,6-7,11-16H2,1-2H3,(H,29,30).
What are the key properties of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine?
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine has a molecular weight of 450.57 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine is sourced from PubChem (CID 66602234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).