(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(4-propan-2-yloxycyclohexyl)methanone

C26H34N4O3 — CID 121389678

IUPAC(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(4-propan-2-yloxycyclohexyl)methanone
SMILESCC(C)OC1CCC(C(=O)N2Cc3cccnc3Nc3ccc(N4CCOCC4)cc32)CC1
InChIInChI=1S/C26H34N4O3/c1-18(2)33-22-8-5-19(6-9-22)26(31)30-17-20-4-3-11-27-25(20)28-23-10-7-21(16-24(23)30)29-12-14-32-15-13-29/h3-4,7,10-11,16,18-19,22H,5-6,8-9,12-15,17H2,1-2H3,(H,27,28)
InChIKeyFFJIUZWEHCMKKS-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.49
Rot. Bonds4

About (8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(4-propan-2-yloxycyclohexyl)methanone

(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(4-propan-2-yloxycyclohexyl)methanone (PubChem CID 121389678) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is (8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(4-propan-2-yloxycyclohexyl)methanone.

Molecular Properties

Compound Name(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(4-propan-2-yloxycyclohexyl)methanone
PubChem CID121389678
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(4-propan-2-yloxycyclohexyl)methanone
SMILESCC(C)OC1CCC(C(=O)N2Cc3cccnc3Nc3ccc(N4CCOCC4)cc32)CC1
InChIInChI=1S/C26H34N4O3/c1-18(2)33-22-8-5-19(6-9-22)26(31)30-17-20-4-3-11-27-25(20)28-23-10-7-21(16-24(23)30)29-12-14-32-15-13-29/h3-4,7,10-11,16,18-19,22H,5-6,8-9,12-15,17H2,1-2H3,(H,27,28)
InChIKeyFFJIUZWEHCMKKS-UHFFFAOYSA-N
XLogP4.49
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(4-propan-2-yloxycyclohexyl)methanone?
The IUPAC name of (8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(4-propan-2-yloxycyclohexyl)methanone (CID 121389678) is (8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(4-propan-2-yloxycyclohexyl)methanone.
What is the SMILES notation for (8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(4-propan-2-yloxycyclohexyl)methanone?
The canonical SMILES for (8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(4-propan-2-yloxycyclohexyl)methanone is CC(C)OC1CCC(C(=O)N2Cc3cccnc3Nc3ccc(N4CCOCC4)cc32)CC1.
What is the InChIKey of (8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(4-propan-2-yloxycyclohexyl)methanone?
The InChIKey is FFJIUZWEHCMKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-18(2)33-22-8-5-19(6-9-22)26(31)30-17-20-4-3-11-27-25(20)28-23-10-7-21(16-24(23)30)29-12-14-32-15-13-29/h3-4,7,10-11,16,18-19,22H,5-6,8-9,12-15,17H2,1-2H3,(H,27,28).
What are the key properties of (8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(4-propan-2-yloxycyclohexyl)methanone?
(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(4-propan-2-yloxycyclohexyl)methanone has a molecular weight of 450.58 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(4-propan-2-yloxycyclohexyl)methanone is sourced from PubChem (CID 121389678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).