N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide

C20H28N6O2 — CID 72888853

IUPACN-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide
SMILESO=C(CCCn1ccnc1)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2
InChIInChI=1S/C20H28N6O2/c27-19(6-2-8-24-11-7-21-15-24)22-13-17-12-18-14-25(9-3-10-26(18)23-17)20(28)16-4-1-5-16/h7,11-12,15-16H,1-6,8-10,13-14H2,(H,22,27)
InChIKeyTXMYYNYKUOFSOU-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.71
Rot. Bonds7

About N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide

N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide (PubChem CID 72888853) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide
PubChem CID72888853
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC NameN-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide
SMILESO=C(CCCn1ccnc1)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2
InChIInChI=1S/C20H28N6O2/c27-19(6-2-8-24-11-7-21-15-24)22-13-17-12-18-14-25(9-3-10-26(18)23-17)20(28)16-4-1-5-16/h7,11-12,15-16H,1-6,8-10,13-14H2,(H,22,27)
InChIKeyTXMYYNYKUOFSOU-UHFFFAOYSA-N
XLogP1.71
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide with MolForge

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Related Compounds

N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-pyrrolidin-1-ylbutanamide
CID 118767391
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 70744863
(2R)-N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1-methylpiperidine-2-carboxamide
CID 96579560
cyclobutyl-[2-[(pyrimidin-2-ylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 70767265
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 72879401
1-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-3-phenylurea
CID 70741663
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 86283629
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 70720324
1-[(2R)-butan-2-yl]-3-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]urea
CID 96580555
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 72853888
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 70734598
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 118793253

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide?
The IUPAC name of N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide (CID 72888853) is N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide.
What is the SMILES notation for N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide?
The canonical SMILES for N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide is O=C(CCCn1ccnc1)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2.
What is the InChIKey of N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide?
The InChIKey is TXMYYNYKUOFSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c27-19(6-2-8-24-11-7-21-15-24)22-13-17-12-18-14-25(9-3-10-26(18)23-17)20(28)16-4-1-5-16/h7,11-12,15-16H,1-6,8-10,13-14H2,(H,22,27).
What are the key properties of N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide?
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide has a molecular weight of 384.48 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide is sourced from PubChem (CID 72888853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).