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

C17H22N6O — CID 97390233

IUPAC2-cyclopropyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]acetamide
SMILESO=C(CC1CC1)NCc1cnc2n1CCN(c1ncccn1)CC2
InChIInChI=1S/C17H22N6O/c24-16(10-13-2-3-13)21-12-14-11-20-15-4-7-22(8-9-23(14)15)17-18-5-1-6-19-17/h1,5-6,11,13H,2-4,7-10,12H2,(H,21,24)
InChIKeyZGLHOEWHNXTISD-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.15
Rot. Bonds5

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

2-cyclopropyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]acetamide (PubChem CID 97390233) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]acetamide
PubChem CID97390233
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-cyclopropyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]acetamide
SMILESO=C(CC1CC1)NCc1cnc2n1CCN(c1ncccn1)CC2
InChIInChI=1S/C17H22N6O/c24-16(10-13-2-3-13)21-12-14-11-20-15-4-7-22(8-9-23(14)15)17-18-5-1-6-19-17/h1,5-6,11,13H,2-4,7-10,12H2,(H,21,24)
InChIKeyZGLHOEWHNXTISD-UHFFFAOYSA-N
XLogP1.15
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53618282
1-[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 56779752
2-cyclopropyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide
CID 97390334
Cyclopent-3-en-1-yl-[3-[(pyrimidin-2-ylamino)methyl]-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 97405527
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
6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 98616956
1-[2-(1-Methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea
CID 138025100
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(7-pyrimidin-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-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]acetamide (CID 97390233) is 2-cyclopropyl-N-[(7-pyrimidin-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-pyrimidin-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-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]acetamide is O=C(CC1CC1)NCc1cnc2n1CCN(c1ncccn1)CC2.
What is the InChIKey of 2-cyclopropyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]acetamide?
The InChIKey is ZGLHOEWHNXTISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c24-16(10-13-2-3-13)21-12-14-11-20-15-4-7-22(8-9-23(14)15)17-18-5-1-6-19-17/h1,5-6,11,13H,2-4,7-10,12H2,(H,21,24).
What are the key properties of 2-cyclopropyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]acetamide?
2-cyclopropyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 1.15, 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-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]acetamide is sourced from PubChem (CID 97390233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).