N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C27H42N8O3 — CID 169145943

IUPACN-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(C)N1CCCn2nc(C(=O)N3CCC(C4CN(C(C)C)Cc5cc(C(=O)N(C)O)nn5C4)C3)cc2C1
InChIInChI=1S/C27H42N8O3/c1-18(2)31-8-6-9-34-22(16-31)11-25(28-34)27(37)32-10-7-20(13-32)21-14-33(19(3)4)17-23-12-24(26(36)30(5)38)29-35(23)15-21/h11-12,18-21,38H,6-10,13-17H2,1-5H3
InChIKeyUCMAOEVKTZZJKY-UHFFFAOYSA-N
MW526.69 g/mol
LogP2.16
Rot. Bonds5

About N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 169145943) has the molecular formula C27H42N8O3 and a molecular weight of 526.69 g/mol. Its IUPAC name is N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID169145943
Molecular FormulaC27H42N8O3
Molecular Weight526.69 g/mol
Exact Mass526.34
IUPAC NameN-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(C)N1CCCn2nc(C(=O)N3CCC(C4CN(C(C)C)Cc5cc(C(=O)N(C)O)nn5C4)C3)cc2C1
InChIInChI=1S/C27H42N8O3/c1-18(2)31-8-6-9-34-22(16-31)11-25(28-34)27(37)32-10-7-20(13-32)21-14-33(19(3)4)17-23-12-24(26(36)30(5)38)29-35(23)15-21/h11-12,18-21,38H,6-10,13-17H2,1-5H3
InChIKeyUCMAOEVKTZZJKY-UHFFFAOYSA-N
XLogP2.16
TPSA102.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.69
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-hydroxy-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 169146006
1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one
CID 56718033
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50959976
1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine
CID 171640849
1-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 95208357
1-[2-[(3S)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 95208356
(5-benzyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 95141808
(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
CID 50983759
N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide
CID 177033572
1-[2-(3-propoxypiperidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 50985271
5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone
CID 128894147
[5-[(2R)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone
CID 95131101

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 169145943) is N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CC(C)N1CCCn2nc(C(=O)N3CCC(C4CN(C(C)C)Cc5cc(C(=O)N(C)O)nn5C4)C3)cc2C1.
What is the InChIKey of N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is UCMAOEVKTZZJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N8O3/c1-18(2)31-8-6-9-34-22(16-31)11-25(28-34)27(37)32-10-7-20(13-32)21-14-33(19(3)4)17-23-12-24(26(36)30(5)38)29-35(23)15-21/h11-12,18-21,38H,6-10,13-17H2,1-5H3.
What are the key properties of N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 526.69 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 169145943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).