7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile

C22H24N6O — CID 155458655

IUPAC7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCCC(CC)n1c(=O)c(C#N)cc2cnc(Nc3ccc4c(c3)CCNC4)nc21
InChIInChI=1S/C22H24N6O/c1-3-19(4-2)28-20-17(9-16(11-23)21(28)29)13-25-22(27-20)26-18-6-5-15-12-24-8-7-14(15)10-18/h5-6,9-10,13,19,24H,3-4,7-8,12H2,1-2H3,(H,25,26,27)
InChIKeyJODDXDBKZGMRFJ-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.41
Rot. Bonds5

About 7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile

7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 155458655) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID155458655
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCCC(CC)n1c(=O)c(C#N)cc2cnc(Nc3ccc4c(c3)CCNC4)nc21
InChIInChI=1S/C22H24N6O/c1-3-19(4-2)28-20-17(9-16(11-23)21(28)29)13-25-22(27-20)26-18-6-5-15-12-24-8-7-14(15)10-18/h5-6,9-10,13,19,24H,3-4,7-8,12H2,1-2H3,(H,25,26,27)
InChIKeyJODDXDBKZGMRFJ-UHFFFAOYSA-N
XLogP3.41
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile with MolForge

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Related Compounds

8-(3-ethoxypropyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458901
8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458377
6-tert-butyl-4-[3-oxo-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]pyridine-3-carbonitrile
CID 155203117
4-[3-oxo-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile
CID 155195535
2-tert-butyl-6-[3-oxo-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]pyridine-4-carbonitrile
CID 155203081
2-ethyl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 165086845
1-[2-[2-ethyl-3-oxo-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-1,3-oxazol-4-yl]cyclopropane-1-carbonitrile
CID 163261431
1-[4-[3-oxo-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]cyclopropane-1-carbonitrile
CID 155191128
8-(2,2-difluorocyclopentyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458584
1-(2-tert-butyl-4-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138522917
1-(6-cyclopropyl-2-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;dihydrochloride
CID 138522866
2-propan-2-yl-1-(1-propan-2-ylimidazol-4-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138537910

Frequently Asked Questions

What is the IUPAC name of 7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 155458655) is 7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile is CCC(CC)n1c(=O)c(C#N)cc2cnc(Nc3ccc4c(c3)CCNC4)nc21.
What is the InChIKey of 7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is JODDXDBKZGMRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-3-19(4-2)28-20-17(9-16(11-23)21(28)29)13-25-22(27-20)26-18-6-5-15-12-24-8-7-14(15)10-18/h5-6,9-10,13,19,24H,3-4,7-8,12H2,1-2H3,(H,25,26,27).
What are the key properties of 7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile?
7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 388.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 155458655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).