N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride

C20H22Cl2FN5O3 — CID 120883227

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)Nc2ccc3c(c2F)CCNC3)nc2c1c(=O)n(C)c(=O)n2C.Cl.Cl
InChIInChI=1S/C20H20FN5O3.2ClH/c1-10-8-14(23-17-15(10)19(28)26(3)20(29)25(17)2)18(27)24-13-5-4-11-9-22-7-6-12(11)16(13)21;;/h4-5,8,22H,6-7,9H2,1-3H3,(H,24,27);2*1H
InChIKeyPIHNFNZWLWIAGS-UHFFFAOYSA-N
MW470.33 g/mol
LogP1.82
Rot. Bonds2

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride (PubChem CID 120883227) has the molecular formula C20H22Cl2FN5O3 and a molecular weight of 470.33 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
PubChem CID120883227
Molecular FormulaC20H22Cl2FN5O3
Molecular Weight470.33 g/mol
Exact Mass469.11
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)Nc2ccc3c(c2F)CCNC3)nc2c1c(=O)n(C)c(=O)n2C.Cl.Cl
InChIInChI=1S/C20H20FN5O3.2ClH/c1-10-8-14(23-17-15(10)19(28)26(3)20(29)25(17)2)18(27)24-13-5-4-11-9-22-7-6-12(11)16(13)21;;/h4-5,8,22H,6-7,9H2,1-3H3,(H,24,27);2*1H
InChIKeyPIHNFNZWLWIAGS-UHFFFAOYSA-N
XLogP1.82
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide
CID 120883840
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,5-dimethylbenzamide;hydrochloride
CID 120882587
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 120881889
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 120881693
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 120883127
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120884197
3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 120881524
2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120884051
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethyl-5-sulfamoylbenzamide;hydrochloride
CID 120883987
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 120883747
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride
CID 120880945
1,3,5-trimethyl-2,4-dioxo-N-piperidin-3-ylpyrido[2,3-d]pyrimidine-7-carboxamide
CID 119424751

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride (CID 120883227) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride is Cc1cc(C(=O)Nc2ccc3c(c2F)CCNC3)nc2c1c(=O)n(C)c(=O)n2C.Cl.Cl.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The InChIKey is PIHNFNZWLWIAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3.2ClH/c1-10-8-14(23-17-15(10)19(28)26(3)20(29)25(17)2)18(27)24-13-5-4-11-9-22-7-6-12(11)16(13)21;;/h4-5,8,22H,6-7,9H2,1-3H3,(H,24,27);2*1H.
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride has a molecular weight of 470.33 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride is sourced from PubChem (CID 120883227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).