3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine

C32H21Cl5I2N8 — CID 158834991

IUPAC3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine
SMILESClCc1ccc2ncc(Cl)cc2c1.Clc1cnc2c(c1)C=C(Cn1nc(I)c3c(Cl)nccc31)CC2.Clc1nccc2n[nH]c(I)c12
InChIInChI=1S/C16H11Cl2IN4.C10H7Cl2N.C6H3ClIN3/c17-11-6-10-5-9(1-2-12(10)21-7-11)8-23-13-3-4-20-15(18)14(13)16(19)22-23;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;7-5-4-3(1-2-9-5)10-11-6(4)8/h3-7H,1-2,8H2;1-4,6H,5H2;1-2H,(H,10,11)
InChIKeyIXNFNYIRAUSTFD-UHFFFAOYSA-N
MW948.65 g/mol
LogP10.61
Rot. Bonds3

About 3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine

3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine (PubChem CID 158834991) has the molecular formula C32H21Cl5I2N8 and a molecular weight of 948.65 g/mol. Its IUPAC name is 3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine
PubChem CID158834991
Molecular FormulaC32H21Cl5I2N8
Molecular Weight948.65 g/mol
Exact Mass945.84
IUPAC Name3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine
SMILESClCc1ccc2ncc(Cl)cc2c1.Clc1cnc2c(c1)C=C(Cn1nc(I)c3c(Cl)nccc31)CC2.Clc1nccc2n[nH]c(I)c12
InChIInChI=1S/C16H11Cl2IN4.C10H7Cl2N.C6H3ClIN3/c17-11-6-10-5-9(1-2-12(10)21-7-11)8-23-13-3-4-20-15(18)14(13)16(19)22-23;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;7-5-4-3(1-2-9-5)10-11-6(4)8/h3-7H,1-2,8H2;1-4,6H,5H2;1-2H,(H,10,11)
InChIKeyIXNFNYIRAUSTFD-UHFFFAOYSA-N
XLogP10.61
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.65
LogP ≤ 510.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

N-[[2-[(3-chloroquinolin-6-yl)methyl]pyridin-4-yl]methyl]-1-[3-(trifluoromethyl)-2H-indazol-5-yl]methanamine
CID 126539634
5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole
CID 159665552
N-(4-chlorophenyl)-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride
CID 22417787
2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride
CID 23134513
5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole
CID 58540833
5-(2-chloro-3-pyridinyl)-1H-indazole;5-(2-chloro-3-pyridinyl)-1-methylindazole
CID 117868316
1-[(3-Chloroquinolin-6-yl)methyl]-3-iodopyrazolo[4,3-c]pyridine-4-carbonitrile
CID 134178586
5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine
CID 145141486
disodium;3-chloro-6-(chloromethyl)quinoline;1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrazolo[3,4-c]pyridine-4-carbonitrile;deuterio(fluoro)methane;hydride;3-iodo-2H-pyrazolo[3,4-c]pyridine-4-carbonitrile;oxido formate;hydrochloride
CID 157095020
6-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine;6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine
CID 157405576
3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-b]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane
CID 157591933
3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine
CID 158808678

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine (CID 158834991) is 3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine is ClCc1ccc2ncc(Cl)cc2c1.Clc1cnc2c(c1)C=C(Cn1nc(I)c3c(Cl)nccc31)CC2.Clc1nccc2n[nH]c(I)c12.
What is the InChIKey of 3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is IXNFNYIRAUSTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2IN4.C10H7Cl2N.C6H3ClIN3/c17-11-6-10-5-9(1-2-12(10)21-7-11)8-23-13-3-4-20-15(18)14(13)16(19)22-23;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;7-5-4-3(1-2-9-5)10-11-6(4)8/h3-7H,1-2,8H2;1-4,6H,5H2;1-2H,(H,10,11).
What are the key properties of 3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine?
3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 948.65 g/mol, XLogP of 10.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(4-chloro-3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]-7,8-dihydroquinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 158834991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).