1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

C17H25N3O — CID 124521613

IUPAC1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc2c(n1)N(CC1CC1)CCN([C@@H]1CCOC1)C2
InChIInChI=1S/C17H25N3O/c1-13-2-5-15-11-19(16-6-9-21-12-16)7-8-20(17(15)18-13)10-14-3-4-14/h2,5,14,16H,3-4,6-12H2,1H3/t16-/m1/s1
InChIKeyXLMDXNIQMYPJRK-MRXNPFEDSA-N
MW287.41 g/mol
LogP2.21
Rot. Bonds3

About 1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 124521613) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID124521613
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc2c(n1)N(CC1CC1)CCN([C@@H]1CCOC1)C2
InChIInChI=1S/C17H25N3O/c1-13-2-5-15-11-19(16-6-9-21-12-16)7-8-20(17(15)18-13)10-14-3-4-14/h2,5,14,16H,3-4,6-12H2,1H3/t16-/m1/s1
InChIKeyXLMDXNIQMYPJRK-MRXNPFEDSA-N
XLogP2.21
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine with MolForge

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Related Compounds

8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 134074593
[(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529272
2-methyl-4-[[4-[(3S)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]methyl]-1,3-thiazole
CID 98777803
N-cyclopropyl-1-(cyclopropylmethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 118743546
2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine
CID 166120622
2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine
CID 66000511
6-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridazin-3-amine
CID 131659046
(5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol
CID 162821718
8-chloro-1-[1-(3-fluoro-6-methyl-2-pyridinyl)piperidin-4-yl]-5-[(3S)-oxolan-3-yl]-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 137486517
6-methyl-N-[[7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyridazin-3-amine
CID 97389770
6-methyl-N-[[7-[(3R)-oxolan-3-yl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyridazin-3-amine
CID 97389769
1-butyl-4-[(3S)-oxolan-3-yl]piperazin-2-one
CID 164632944

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 124521613) is 1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is Cc1ccc2c(n1)N(CC1CC1)CCN([C@@H]1CCOC1)C2.
What is the InChIKey of 1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is XLMDXNIQMYPJRK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-2-5-15-11-19(16-6-9-21-12-16)7-8-20(17(15)18-13)10-14-3-4-14/h2,5,14,16H,3-4,6-12H2,1H3/t16-/m1/s1.
What are the key properties of 1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 287.41 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 124521613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).