bis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride

C28H36Cl2N6O2 — CID 173003527

IUPACbis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride
SMILESCl.Cl.OC1CN(Cc2ccccn2)CC2=CC=CCN21.OC1CN(Cc2ccccn2)CC2=CC=CCN21
InChIInChI=1S/2C14H17N3O.2ClH/c2*18-14-11-16(9-12-5-1-3-7-15-12)10-13-6-2-4-8-17(13)14;;/h2*1-7,14,18H,8-11H2;2*1H
InChIKeyHCPVESFVQJFMMR-UHFFFAOYSA-N
MW559.54 g/mol
LogP2.79
Rot. Bonds4

About bis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride

bis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride (PubChem CID 173003527) has the molecular formula C28H36Cl2N6O2 and a molecular weight of 559.54 g/mol. Its IUPAC name is bis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride.

Molecular Properties

Compound Namebis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride
PubChem CID173003527
Molecular FormulaC28H36Cl2N6O2
Molecular Weight559.54 g/mol
Exact Mass558.23
IUPAC Namebis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride
SMILESCl.Cl.OC1CN(Cc2ccccn2)CC2=CC=CCN21.OC1CN(Cc2ccccn2)CC2=CC=CCN21
InChIInChI=1S/2C14H17N3O.2ClH/c2*18-14-11-16(9-12-5-1-3-7-15-12)10-13-6-2-4-8-17(13)14;;/h2*1-7,14,18H,8-11H2;2*1H
InChIKeyHCPVESFVQJFMMR-UHFFFAOYSA-N
XLogP2.79
TPSA79.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.54
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
CID 59694740
CID 59694740
(3aS,6aR)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156899177
(4S)-5,8-dimethoxy-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 95573529
(4R)-5,8-dimethoxy-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 95573528
(3aS,6aR)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 96640188
(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol
CID 75367760
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
[(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
CID 173262646
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400

Frequently Asked Questions

What is the IUPAC name of bis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride?
The IUPAC name of bis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride (CID 173003527) is bis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride.
What is the SMILES notation for bis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride?
The canonical SMILES for bis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride is Cl.Cl.OC1CN(Cc2ccccn2)CC2=CC=CCN21.OC1CN(Cc2ccccn2)CC2=CC=CCN21.
What is the InChIKey of bis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride?
The InChIKey is HCPVESFVQJFMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H17N3O.2ClH/c2*18-14-11-16(9-12-5-1-3-7-15-12)10-13-6-2-4-8-17(13)14;;/h2*1-7,14,18H,8-11H2;2*1H.
What are the key properties of bis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride?
bis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride has a molecular weight of 559.54 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride is sourced from PubChem (CID 173003527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).