(2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone

C24H26N4O — CID 46898323

IUPAC(2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone
SMILESCc1ccc2c(c1)Cn1cccc1CN2C(=O)C1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H26N4O/c1-18-7-8-22-20(15-18)16-27-12-4-5-21(27)17-28(22)24(29)19-9-13-26(14-10-19)23-6-2-3-11-25-23/h2-8,11-12,15,19H,9-10,13-14,16-17H2,1H3
InChIKeyMSAJNWUGCRSEAY-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.00
Rot. Bonds2

About (2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone

(2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone (PubChem CID 46898323) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is (2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone
PubChem CID46898323
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name(2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone
SMILESCc1ccc2c(c1)Cn1cccc1CN2C(=O)C1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H26N4O/c1-18-7-8-22-20(15-18)16-27-12-4-5-21(27)17-28(22)24(29)19-9-13-26(14-10-19)23-6-2-3-11-25-23/h2-8,11-12,15,19H,9-10,13-14,16-17H2,1H3
InChIKeyMSAJNWUGCRSEAY-UHFFFAOYSA-N
XLogP4.00
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[1-(3-nitrophenyl)piperidin-4-yl]methanone
CID 46898537
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone
CID 162652318
(7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone
CID 90349868
2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 172891744
[1-(6-ethoxy-4-methylquinazolin-2-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 26358210
2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
3-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 172891401
(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 167400923
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 30363670

Frequently Asked Questions

What is the IUPAC name of (2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone?
The IUPAC name of (2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone (CID 46898323) is (2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for (2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for (2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone is Cc1ccc2c(c1)Cn1cccc1CN2C(=O)C1CCN(c2ccccn2)CC1.
What is the InChIKey of (2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone?
The InChIKey is MSAJNWUGCRSEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-7-8-22-20(15-18)16-27-12-4-5-21(27)17-28(22)24(29)19-9-13-26(14-10-19)23-6-2-3-11-25-23/h2-8,11-12,15,19H,9-10,13-14,16-17H2,1H3.
What are the key properties of (2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone?
(2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone has a molecular weight of 386.50 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 46898323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).