5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium

C38H57Br2IN5O7V- — CID 159463934

IUPAC5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)Cc2cncc(Br)c2)CC1.CC(C)(C)OC(=O)N1CCC(CC(=O)O)CC1.CC[CH-]I.Nc1cncc(Br)c1.[V]
InChIInChI=1S/C18H25BrN2O3.C12H21NO4.C5H5BrN2.C3H6I.V/c1-18(2,3)24-17(23)21-6-4-13(5-7-21)9-16(22)10-14-8-15(19)12-20-11-14;1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15;6-4-1-5(7)3-8-2-4;1-2-3-4;/h8,11-13H,4-7,9-10H2,1-3H3;9H,4-8H2,1-3H3,(H,14,15);1-3H,7H2;3H,2H2,1H3;/q;;;-1;
InChIKeyFSCBCSIRMWOWSC-UHFFFAOYSA-N
MW1033.56 g/mol
LogP9.52
Rot. Bonds7

About 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium

5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium (PubChem CID 159463934) has the molecular formula C38H57Br2IN5O7V- and a molecular weight of 1033.56 g/mol. Its IUPAC name is 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium.

Molecular Properties

Compound Name5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium
PubChem CID159463934
Molecular FormulaC38H57Br2IN5O7V-
Molecular Weight1033.56 g/mol
Exact Mass1031.11
IUPAC Name5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)Cc2cncc(Br)c2)CC1.CC(C)(C)OC(=O)N1CCC(CC(=O)O)CC1.CC[CH-]I.Nc1cncc(Br)c1.[V]
InChIInChI=1S/C18H25BrN2O3.C12H21NO4.C5H5BrN2.C3H6I.V/c1-18(2,3)24-17(23)21-6-4-13(5-7-21)9-16(22)10-14-8-15(19)12-20-11-14;1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15;6-4-1-5(7)3-8-2-4;1-2-3-4;/h8,11-13H,4-7,9-10H2,1-3H3;9H,4-8H2,1-3H3,(H,14,15);1-3H,7H2;3H,2H2,1H3;/q;;;-1;
InChIKeyFSCBCSIRMWOWSC-UHFFFAOYSA-N
XLogP9.52
TPSA165.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.56
LogP ≤ 59.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium?
The IUPAC name of 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium (CID 159463934) is 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium.
What is the SMILES notation for 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium?
The canonical SMILES for 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium is CC(C)(C)OC(=O)N1CCC(CC(=O)Cc2cncc(Br)c2)CC1.CC(C)(C)OC(=O)N1CCC(CC(=O)O)CC1.CC[CH-]I.Nc1cncc(Br)c1.[V].
What is the InChIKey of 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium?
The InChIKey is FSCBCSIRMWOWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O3.C12H21NO4.C5H5BrN2.C3H6I.V/c1-18(2,3)24-17(23)21-6-4-13(5-7-21)9-16(22)10-14-8-15(19)12-20-11-14;1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15;6-4-1-5(7)3-8-2-4;1-2-3-4;/h8,11-13H,4-7,9-10H2,1-3H3;9H,4-8H2,1-3H3,(H,14,15);1-3H,7H2;3H,2H2,1H3;/q;;;-1;.
What are the key properties of 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium?
5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium has a molecular weight of 1033.56 g/mol, XLogP of 9.52, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;1-iodopropane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;vanadium is sourced from PubChem (CID 159463934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).