[8-(2-pyridin-3-ylmorpholin-4-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanol

C22H23N5O2 — CID 145094728

IUPAC[8-(2-pyridin-3-ylmorpholin-4-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanol
SMILESOCN1Cc2cccnc2Nc2ccc(N3CCOC(c4cccnc4)C3)cc21
InChIInChI=1S/C22H23N5O2/c28-15-27-13-17-4-2-8-24-22(17)25-19-6-5-18(11-20(19)27)26-9-10-29-21(14-26)16-3-1-7-23-12-16/h1-8,11-12,21,28H,9-10,13-15H2,(H,24,25)
InChIKeyRSIPHPANQFNBQU-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.07
Rot. Bonds3

About [8-(2-pyridin-3-ylmorpholin-4-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanol

[8-(2-pyridin-3-ylmorpholin-4-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanol (PubChem CID 145094728) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is [8-(2-pyridin-3-ylmorpholin-4-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanol.

Molecular Properties

Compound Name[8-(2-pyridin-3-ylmorpholin-4-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanol
PubChem CID145094728
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name[8-(2-pyridin-3-ylmorpholin-4-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanol
SMILESOCN1Cc2cccnc2Nc2ccc(N3CCOC(c4cccnc4)C3)cc21
InChIInChI=1S/C22H23N5O2/c28-15-27-13-17-4-2-8-24-22(17)25-19-6-5-18(11-20(19)27)26-9-10-29-21(14-26)16-3-1-7-23-12-16/h1-8,11-12,21,28H,9-10,13-15H2,(H,24,25)
InChIKeyRSIPHPANQFNBQU-UHFFFAOYSA-N
XLogP3.07
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [8-(2-pyridin-3-ylmorpholin-4-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanol?
The IUPAC name of [8-(2-pyridin-3-ylmorpholin-4-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanol (CID 145094728) is [8-(2-pyridin-3-ylmorpholin-4-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanol.
What is the SMILES notation for [8-(2-pyridin-3-ylmorpholin-4-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanol?
The canonical SMILES for [8-(2-pyridin-3-ylmorpholin-4-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanol is OCN1Cc2cccnc2Nc2ccc(N3CCOC(c4cccnc4)C3)cc21.
What is the InChIKey of [8-(2-pyridin-3-ylmorpholin-4-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanol?
The InChIKey is RSIPHPANQFNBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-15-27-13-17-4-2-8-24-22(17)25-19-6-5-18(11-20(19)27)26-9-10-29-21(14-26)16-3-1-7-23-12-16/h1-8,11-12,21,28H,9-10,13-15H2,(H,24,25).
What are the key properties of [8-(2-pyridin-3-ylmorpholin-4-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanol?
[8-(2-pyridin-3-ylmorpholin-4-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanol has a molecular weight of 389.46 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-pyridin-3-ylmorpholin-4-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanol is sourced from PubChem (CID 145094728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).