4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide

C23H24ClN7 — CID 59690036

IUPAC4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide
SMILESCC(C)C1CN(c2cccc(Cl)n2)CCN1/C(=N/c1cccc2ncccc12)NC#N
InChIInChI=1S/C23H24ClN7/c1-16(2)20-14-30(22-10-4-9-21(24)29-22)12-13-31(20)23(27-15-25)28-19-8-3-7-18-17(19)6-5-11-26-18/h3-11,16,20H,12-14H2,1-2H3,(H,27,28)
InChIKeyUFGCGUXOVJANOY-UHFFFAOYSA-N
MW433.95 g/mol
LogP4.19
Rot. Bonds3

About 4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide

4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide (PubChem CID 59690036) has the molecular formula C23H24ClN7 and a molecular weight of 433.95 g/mol. Its IUPAC name is 4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide
PubChem CID59690036
Molecular FormulaC23H24ClN7
Molecular Weight433.95 g/mol
Exact Mass433.18
IUPAC Name4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide
SMILESCC(C)C1CN(c2cccc(Cl)n2)CCN1/C(=N/c1cccc2ncccc12)NC#N
InChIInChI=1S/C23H24ClN7/c1-16(2)20-14-30(22-10-4-9-21(24)29-22)12-13-31(20)23(27-15-25)28-19-8-3-7-18-17(19)6-5-11-26-18/h3-11,16,20H,12-14H2,1-2H3,(H,27,28)
InChIKeyUFGCGUXOVJANOY-UHFFFAOYSA-N
XLogP4.19
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.95
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide with MolForge

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Launch Full Analysis

Related Compounds

A804598
CID 53325874
Tpl2 Kinase Inhibitor
CID 9549300
SD-208
CID 10316032
Sri-9439
CID 446752
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
Bms-279700
CID 9844320
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
Ezurpimtrostat
CID 121305180
4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328070
Pyrazine-Pyridine Biheteroaryl 20
CID 5330362
Pyrazine-Pyridine Biheteroaryl 24
CID 5330363

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide?
The IUPAC name of 4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide (CID 59690036) is 4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide?
The canonical SMILES for 4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide is CC(C)C1CN(c2cccc(Cl)n2)CCN1/C(=N/c1cccc2ncccc12)NC#N.
What is the InChIKey of 4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide?
The InChIKey is UFGCGUXOVJANOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7/c1-16(2)20-14-30(22-10-4-9-21(24)29-22)12-13-31(20)23(27-15-25)28-19-8-3-7-18-17(19)6-5-11-26-18/h3-11,16,20H,12-14H2,1-2H3,(H,27,28).
What are the key properties of 4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide?
4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide has a molecular weight of 433.95 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 59690036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).