[1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol

C24H32N8O — CID 66602076

IUPAC[1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCc1[nH]ncc1C(c1ccccn1)N1CCN(c2nccnc2N2CCC(CO)CC2)CC1
InChIInChI=1S/C24H32N8O/c1-18-20(16-28-29-18)22(21-4-2-3-7-25-21)30-12-14-32(15-13-30)24-23(26-8-9-27-24)31-10-5-19(17-33)6-11-31/h2-4,7-9,16,19,22,33H,5-6,10-15,17H2,1H3,(H,28,29)
InChIKeyWODSVZKQTWVJSV-UHFFFAOYSA-N
MW448.58 g/mol
LogP2.02
Rot. Bonds6

About [1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol

[1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 66602076) has the molecular formula C24H32N8O and a molecular weight of 448.58 g/mol. Its IUPAC name is [1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID66602076
Molecular FormulaC24H32N8O
Molecular Weight448.58 g/mol
Exact Mass448.27
IUPAC Name[1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCc1[nH]ncc1C(c1ccccn1)N1CCN(c2nccnc2N2CCC(CO)CC2)CC1
InChIInChI=1S/C24H32N8O/c1-18-20(16-28-29-18)22(21-4-2-3-7-25-21)30-12-14-32(15-13-30)24-23(26-8-9-27-24)31-10-5-19(17-33)6-11-31/h2-4,7-9,16,19,22,33H,5-6,10-15,17H2,1H3,(H,28,29)
InChIKeyWODSVZKQTWVJSV-UHFFFAOYSA-N
XLogP2.02
TPSA97.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol (CID 66602076) is [1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol is Cc1[nH]ncc1C(c1ccccn1)N1CCN(c2nccnc2N2CCC(CO)CC2)CC1.
What is the InChIKey of [1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is WODSVZKQTWVJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O/c1-18-20(16-28-29-18)22(21-4-2-3-7-25-21)30-12-14-32(15-13-30)24-23(26-8-9-27-24)31-10-5-19(17-33)6-11-31/h2-4,7-9,16,19,22,33H,5-6,10-15,17H2,1H3,(H,28,29).
What are the key properties of [1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 448.58 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 66602076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).