2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide

C17H21FN6O — CID 97467189

IUPAC2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide
SMILESO=C(CC1CC1)NCc1cnc2n1CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C17H21FN6O/c18-13-8-21-17(22-9-13)23-4-3-15-19-10-14(24(15)6-5-23)11-20-16(25)7-12-1-2-12/h8-10,12H,1-7,11H2,(H,20,25)
InChIKeyWHVGDVLRBVTNQE-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.29
Rot. Bonds5

About 2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide

2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide (PubChem CID 97467189) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide
PubChem CID97467189
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Name2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide
SMILESO=C(CC1CC1)NCc1cnc2n1CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C17H21FN6O/c18-13-8-21-17(22-9-13)23-4-3-15-19-10-14(24(15)6-5-23)11-20-16(25)7-12-1-2-12/h8-10,12H,1-7,11H2,(H,20,25)
InChIKeyWHVGDVLRBVTNQE-UHFFFAOYSA-N
XLogP1.29
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide with MolForge

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Related Compounds

2-cyclopropyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide
CID 97390334
3-[[(2-Cyclopropylacetyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97467200
N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]cyclobutanecarboxamide
CID 97467207
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
2-Cyclopropyl-1-[3-[(pyrimidin-2-ylamino)methyl]-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 97519586
1-[[8-(5-Fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 131654700
1-[[(6R)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 97462872
1-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 97462873
2-cyclopropyl-N-[[7-(1-fluorocyclopropanecarbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide
CID 129555797
2-cyclopropyl-N-[[7-(1-fluorocyclobutanecarbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide
CID 129555822
2-cyclopropyl-N-[[7-(3,3-difluorocyclobutanecarbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide
CID 129555838

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide (CID 97467189) is 2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide is O=C(CC1CC1)NCc1cnc2n1CCN(c1ncc(F)cn1)CC2.
What is the InChIKey of 2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide?
The InChIKey is WHVGDVLRBVTNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O/c18-13-8-21-17(22-9-13)23-4-3-15-19-10-14(24(15)6-5-23)11-20-16(25)7-12-1-2-12/h8-10,12H,1-7,11H2,(H,20,25).
What are the key properties of 2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide?
2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide has a molecular weight of 344.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide is sourced from PubChem (CID 97467189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).