[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone

C14H21FN4O — CID 131682974

IUPAC[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone
SMILESCN(C)Cc1cnc2n1CCN(C(=O)C1(F)CC1)CC2
InChIInChI=1S/C14H21FN4O/c1-17(2)10-11-9-16-12-3-6-18(7-8-19(11)12)13(20)14(15)4-5-14/h9H,3-8,10H2,1-2H3
InChIKeyXNIUNZNFNLNHJV-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.83
Rot. Bonds3

About [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone

[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone (PubChem CID 131682974) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone
PubChem CID131682974
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone
SMILESCN(C)Cc1cnc2n1CCN(C(=O)C1(F)CC1)CC2
InChIInChI=1S/C14H21FN4O/c1-17(2)10-11-9-16-12-3-6-18(7-8-19(11)12)13(20)14(15)4-5-14/h9H,3-8,10H2,1-2H3
InChIKeyXNIUNZNFNLNHJV-UHFFFAOYSA-N
XLogP0.83
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-Cyclopropylacetyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97467200
N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]cyclobutanecarboxamide
CID 97467210
N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide
CID 97467211
N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide
CID 97467229
Cyclopent-3-en-1-yl-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 98614601
cyclopropyl[3-(5-methyl-1-propyl-1H-imidazol-2-yl)-1-pyrrolidinyl]methanone
CID 110203815
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]cyclopropanecarboxamide
CID 60312126
N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]-2,2-dimethylpropanamide
CID 169875596
N-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-4-(trifluoroacetyl)-1,4-diazepane-1-carboxamide
CID 124207685
[3-[(Dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclobutyl)methanone
CID 129555785
(1-Fluorocyclopropyl)-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 129555791
[3-[(Dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(3-fluorocyclobutyl)methanone
CID 129555794

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone (CID 131682974) is [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone is CN(C)Cc1cnc2n1CCN(C(=O)C1(F)CC1)CC2.
What is the InChIKey of [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone?
The InChIKey is XNIUNZNFNLNHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-17(2)10-11-9-16-12-3-6-18(7-8-19(11)12)13(20)14(15)4-5-14/h9H,3-8,10H2,1-2H3.
What are the key properties of [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone?
[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone has a molecular weight of 280.35 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclopropyl)methanone is sourced from PubChem (CID 131682974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).