7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide

C19H21N7O2 — CID 53302805

IUPAC7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3cccc4c3CNCC4)nc21
InChIInChI=1S/C19H21N7O2/c1-2-26-16(20)14(17(21)28)15(27)12-9-23-19(25-18(12)26)24-13-5-3-4-10-6-7-22-8-11(10)13/h3-5,9,22H,2,6-8,20H2,1H3,(H2,21,28)(H,23,24,25)
InChIKeyHQFBQKQYVKSHAV-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.88
Rot. Bonds4

About 7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide

7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53302805) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID53302805
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3cccc4c3CNCC4)nc21
InChIInChI=1S/C19H21N7O2/c1-2-26-16(20)14(17(21)28)15(27)12-9-23-19(25-18(12)26)24-13-5-3-4-10-6-7-22-8-11(10)13/h3-5,9,22H,2,6-8,20H2,1H3,(H2,21,28)(H,23,24,25)
InChIKeyHQFBQKQYVKSHAV-UHFFFAOYSA-N
XLogP0.88
TPSA140.95 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 53302805) is 7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide is CCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3cccc4c3CNCC4)nc21.
What is the InChIKey of 7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HQFBQKQYVKSHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-2-26-16(20)14(17(21)28)15(27)12-9-23-19(25-18(12)26)24-13-5-3-4-10-6-7-22-8-11(10)13/h3-5,9,22H,2,6-8,20H2,1H3,(H2,21,28)(H,23,24,25).
What are the key properties of 7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 0.88, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53302805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).