carbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium

C65H64N19O7V- — CID 158088305

IUPACcarbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium
SMILESCC[C@H](Nc1ncnc2c1ncn2C1CCCCO1)c1nc2cccc(CNc3ccc(C(=O)OC)cn3)c2c(=O)n1-c1ccccc1.CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(CNc3ccc(C(=O)NO)cn3)c2c(=O)n1-c1ccccc1.[CH3-].[V]
InChIInChI=1S/C35H35N9O4.C29H26N10O3.CH3.V/c1-3-25(41-31-30-33(39-20-38-31)43(21-40-30)28-14-7-8-17-48-28)32-42-26-13-9-10-22(18-36-27-16-15-23(19-37-27)35(46)47-2)29(26)34(45)44(32)24-11-5-4-6-12-24;1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-21-10-6-7-17(13-30-22-12-11-18(14-31-22)28(40)38-42)23(21)29(41)39(27)19-8-4-3-5-9-19;;/h4-6,9-13,15-16,19-21,25,28H,3,7-8,14,17-18H2,1-2H3,(H,36,37)(H,38,39,41);3-12,14-16,20,42H,2,13H2,1H3,(H,30,31)(H,38,40)(H2,32,33,34,35,36);1H3;/q;;-1;/t25-,28?;20-;;/m00../s1
InChIKeyQWTBAKPHVQBHDB-MYPDXIHHSA-N
MW1274.30 g/mol
LogP9.77
Rot. Bonds19

About carbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium

carbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium (PubChem CID 158088305) has the molecular formula C65H64N19O7V- and a molecular weight of 1274.30 g/mol. Its IUPAC name is carbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium.

Molecular Properties

Compound Namecarbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium
PubChem CID158088305
Molecular FormulaC65H64N19O7V-
Molecular Weight1274.30 g/mol
Exact Mass1273.47
IUPAC Namecarbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium
SMILESCC[C@H](Nc1ncnc2c1ncn2C1CCCCO1)c1nc2cccc(CNc3ccc(C(=O)OC)cn3)c2c(=O)n1-c1ccccc1.CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(CNc3ccc(C(=O)NO)cn3)c2c(=O)n1-c1ccccc1.[CH3-].[V]
InChIInChI=1S/C35H35N9O4.C29H26N10O3.CH3.V/c1-3-25(41-31-30-33(39-20-38-31)43(21-40-30)28-14-7-8-17-48-28)32-42-26-13-9-10-22(18-36-27-16-15-23(19-37-27)35(46)47-2)29(26)34(45)44(32)24-11-5-4-6-12-24;1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-21-10-6-7-17(13-30-22-12-11-18(14-31-22)28(40)38-42)23(21)29(41)39(27)19-8-4-3-5-9-19;;/h4-6,9-13,15-16,19-21,25,28H,3,7-8,14,17-18H2,1-2H3,(H,36,37)(H,38,39,41);3-12,14-16,20,42H,2,13H2,1H3,(H,30,31)(H,38,40)(H2,32,33,34,35,36);1H3;/q;;-1;/t25-,28?;20-;;/m00../s1
InChIKeyQWTBAKPHVQBHDB-MYPDXIHHSA-N
XLogP9.77
TPSA326.60 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001274.30
LogP ≤ 59.77
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze carbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[[2-[1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylcarbamoyl]benzoate
CID 146585698
5-fluoro-2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-3-phenylquinazolin-4-one;5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one;dihydrochloride
CID 160967780
8-fluoro-3-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-2-phenylisoquinolin-1-one;8-fluoro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)propyl]isoquinolin-1-one
CID 159714222
N-hydroxy-2-[[[4-oxo-3-phenyl-2-[1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]methyl]-1,3-thiazole-4-carboxamide
CID 137368145
6-chloro-9-(oxan-2-yl)purine;ethyl 2-[2-[(1S)-1-aminopropyl]-4-oxo-3-phenylquinazolin-5-yl]-1,3-benzothiazole-6-carboxylate;ethyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-oxo-3-phenylquinazolin-5-yl]-1,3-benzothiazole-6-carboxylate;ethyl 2-[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]-1,3-benzothiazole-6-carboxylate
CID 158968809
N-hydroxy-1-[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]iodanuidylformamide
CID 142506075
4-[[[2-[(1S)-1-[(6-amino-5-cyano-2-methylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]methyl]-N-hydroxybenzamide;5-[[[5-(2-hydroxyacetyl)pyrimidin-2-yl]amino]methyl]-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one;N-hydroxy-2-[[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]methyl]-1,3-thiazole-4-carboxamide
CID 158630677
N-hydroxy-2-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]-1,3-thiazole-4-carboxamide
CID 159823187
5-chloro-6-fluoro-3-phenyl-2-[1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
CID 118044172
5-chloro-6-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
CID 118044338
3-[(1S)-1-aminoethyl]-2-cyclopropyl-8-methylisoquinolin-1-one;tert-butyl N-[4-[2-(cyclopropylcarbamoyl)-3-methylphenyl]-3-oxobutan-2-yl]carbamate;N-cyclopropyl-2,6-dimethylbenzamide;2-cyclopropyl-8-methyl-3-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]ethyl]isoquinolin-1-one;2-cyclopropyl-8-methyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one;2,6-dimethylbenzoyl chloride;methane
CID 159395028
methyl 5-fluoro-2-[1-[[9-(oxan-2-yl)purin-6-yl]amino]ethyl]-3-phenylbenzimidazole-4-carboxylate
CID 77456180

Frequently Asked Questions

What is the IUPAC name of carbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium?
The IUPAC name of carbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium (CID 158088305) is carbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium.
What is the SMILES notation for carbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium?
The canonical SMILES for carbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium is CC[C@H](Nc1ncnc2c1ncn2C1CCCCO1)c1nc2cccc(CNc3ccc(C(=O)OC)cn3)c2c(=O)n1-c1ccccc1.CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(CNc3ccc(C(=O)NO)cn3)c2c(=O)n1-c1ccccc1.[CH3-].[V].
What is the InChIKey of carbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium?
The InChIKey is QWTBAKPHVQBHDB-MYPDXIHHSA-N. The full InChI is InChI=1S/C35H35N9O4.C29H26N10O3.CH3.V/c1-3-25(41-31-30-33(39-20-38-31)43(21-40-30)28-14-7-8-17-48-28)32-42-26-13-9-10-22(18-36-27-16-15-23(19-37-27)35(46)47-2)29(26)34(45)44(32)24-11-5-4-6-12-24;1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-21-10-6-7-17(13-30-22-12-11-18(14-31-22)28(40)38-42)23(21)29(41)39(27)19-8-4-3-5-9-19;;/h4-6,9-13,15-16,19-21,25,28H,3,7-8,14,17-18H2,1-2H3,(H,36,37)(H,38,39,41);3-12,14-16,20,42H,2,13H2,1H3,(H,30,31)(H,38,40)(H2,32,33,34,35,36);1H3;/q;;-1;/t25-,28?;20-;;/m00../s1.
What are the key properties of carbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium?
carbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium has a molecular weight of 1274.30 g/mol, XLogP of 9.77, 19 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N-hydroxy-6-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyridine-3-carboxamide;methyl 6-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]pyridine-3-carboxylate;vanadium is sourced from PubChem (CID 158088305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).