2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one

C21H20ClN9O2 — CID 144557883

IUPAC2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one
SMILESCCN(Cc1nn2ccc(Cl)c2c(=O)n1-c1ccccn1)c1nc(N)nc2c1C(=O)CCN2
InChIInChI=1S/C21H20ClN9O2/c1-2-29(19-16-13(32)6-9-25-18(16)26-21(23)27-19)11-15-28-30-10-7-12(22)17(30)20(33)31(15)14-5-3-4-8-24-14/h3-5,7-8,10H,2,6,9,11H2,1H3,(H3,23,25,26,27)
InChIKeyWLQLNLDRNAUBQV-UHFFFAOYSA-N
MW465.91 g/mol
LogP1.93
Rot. Bonds5

About 2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one

2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 144557883) has the molecular formula C21H20ClN9O2 and a molecular weight of 465.91 g/mol. Its IUPAC name is 2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID144557883
Molecular FormulaC21H20ClN9O2
Molecular Weight465.91 g/mol
Exact Mass465.14
IUPAC Name2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one
SMILESCCN(Cc1nn2ccc(Cl)c2c(=O)n1-c1ccccn1)c1nc(N)nc2c1C(=O)CCN2
InChIInChI=1S/C21H20ClN9O2/c1-2-29(19-16-13(32)6-9-25-18(16)26-21(23)27-19)11-15-28-30-10-7-12(22)17(30)20(33)31(15)14-5-3-4-8-24-14/h3-5,7-8,10H,2,6,9,11H2,1H3,(H3,23,25,26,27)
InChIKeyWLQLNLDRNAUBQV-UHFFFAOYSA-N
XLogP1.93
TPSA136.33 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.91
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one (CID 144557883) is 2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one is CCN(Cc1nn2ccc(Cl)c2c(=O)n1-c1ccccn1)c1nc(N)nc2c1C(=O)CCN2.
What is the InChIKey of 2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is WLQLNLDRNAUBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN9O2/c1-2-29(19-16-13(32)6-9-25-18(16)26-21(23)27-19)11-15-28-30-10-7-12(22)17(30)20(33)31(15)14-5-3-4-8-24-14/h3-5,7-8,10H,2,6,9,11H2,1H3,(H3,23,25,26,27).
What are the key properties of 2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one?
2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 465.91 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 144557883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).