6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline

C19H19ClN4 — CID 140609204

IUPAC6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESCc1cnn(C)c1-c1cncc(N2CCc3cc(Cl)ccc3C2)c1
InChIInChI=1S/C19H19ClN4/c1-13-9-22-23(2)19(13)16-8-18(11-21-10-16)24-6-5-14-7-17(20)4-3-15(14)12-24/h3-4,7-11H,5-6,12H2,1-2H3
InChIKeyDVKANAMFOFJLGY-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.01
Rot. Bonds2

About 6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline

6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 140609204) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
PubChem CID140609204
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESCc1cnn(C)c1-c1cncc(N2CCc3cc(Cl)ccc3C2)c1
InChIInChI=1S/C19H19ClN4/c1-13-9-22-23(2)19(13)16-8-18(11-21-10-16)24-6-5-14-7-17(20)4-3-15(14)12-24/h3-4,7-11H,5-6,12H2,1-2H3
InChIKeyDVKANAMFOFJLGY-UHFFFAOYSA-N
XLogP4.01
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine
CID 154053076
6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 142721207
3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 141362696
2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-1,3,4-thiadiazole
CID 122145243
6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 141362668
5-(1,4-dimethylpyrazol-5-yl)pyrimidine
CID 169090134
2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279824
6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157144
1-[2-chloro-4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylphenyl]-4,4-dimethylpentan-2-one
CID 58097367
(3S)-3-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 124623973
5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine
CID 58063417
6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 175712154

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline (CID 140609204) is 6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline is Cc1cnn(C)c1-c1cncc(N2CCc3cc(Cl)ccc3C2)c1.
What is the InChIKey of 6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is DVKANAMFOFJLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-13-9-22-23(2)19(13)16-8-18(11-21-10-16)24-6-5-14-7-17(20)4-3-15(14)12-24/h3-4,7-11H,5-6,12H2,1-2H3.
What are the key properties of 6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 338.84 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 140609204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).