6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine

C21H27FN4 — CID 143968035

IUPAC6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESCC1C=NC=C(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)C1(C)F
InChIInChI=1S/C21H27FN4/c1-14-11-25-13-19(21(14,2)22)16-9-15-3-6-24-12-18(15)20(10-16)26-17-4-7-23-8-5-17/h3,9-14,17,23-24,26H,4-8H2,1-2H3
InChIKeyUPUMZGKJBKUVAS-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.76
Rot. Bonds3

About 6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine

6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (PubChem CID 143968035) has the molecular formula C21H27FN4 and a molecular weight of 354.47 g/mol. Its IUPAC name is 6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.

Molecular Properties

Compound Name6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
PubChem CID143968035
Molecular FormulaC21H27FN4
Molecular Weight354.47 g/mol
Exact Mass354.22
IUPAC Name6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESCC1C=NC=C(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)C1(C)F
InChIInChI=1S/C21H27FN4/c1-14-11-25-13-19(21(14,2)22)16-9-15-3-6-24-12-18(15)20(10-16)26-17-4-7-23-8-5-17/h3,9-14,17,23-24,26H,4-8H2,1-2H3
InChIKeyUPUMZGKJBKUVAS-UHFFFAOYSA-N
XLogP1.76
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine with MolForge

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Launch Full Analysis

Related Compounds

6-Fluoro-3-[8-(piperidin-4-ylamino)-4a,8a-dihydroisoquinolin-6-yl]cyclohexa-1,5-diene-1-carbonitrile
CID 70903849
6-[6-(difluoromethyl)-3,4-dihydropyridin-4-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903858
6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70904122
6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70904129
N-[(5Z,6E)-6-(aminomethylidene)-3-[6-(difluoromethyl)-3,4-dihydropyridin-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085330
N-[(5Z,6E)-6-(aminomethylidene)-3-(6-ethyl-5-fluoro-2,3-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085515
6-[5-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydroisoquinolin-8-amine
CID 89738388
6-(6-fluoro-3,4-dihydropyridin-4-yl)-N-(1-sulfanylpiperidin-4-yl)-4a,8a-dihydroisoquinolin-8-amine
CID 89738468
2-Fluoro-6-methyl-5-[1-methyl-8-(piperidin-4-ylamino)-1,8a-dihydroisoquinolin-6-yl]cyclohexa-2,4-diene-1-carbonitrile
CID 143967918
7-(6-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-5-N-piperidin-4-yl-3-N-propan-2-yl-6,7-dihydroisoquinoline-3,5-diamine
CID 156342245
2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine
CID 163826234
6-[5-(1-fluoro-2-methylprop-2-enyl)-3,4-dihydropyrrol-1-ium-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 163867619

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The IUPAC name of 6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (CID 143968035) is 6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.
What is the SMILES notation for 6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The canonical SMILES for 6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is CC1C=NC=C(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)C1(C)F.
What is the InChIKey of 6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The InChIKey is UPUMZGKJBKUVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4/c1-14-11-25-13-19(21(14,2)22)16-9-15-3-6-24-12-18(15)20(10-16)26-17-4-7-23-8-5-17/h3,9-14,17,23-24,26H,4-8H2,1-2H3.
What are the key properties of 6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine has a molecular weight of 354.47 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is sourced from PubChem (CID 143968035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).