2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one

C23H23FN8O2 — CID 144558139

IUPAC2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one
SMILESCCCN(Cc1nn2ccc(F)c2c(=O)n1-c1ccccc1)c1nc(N)nc2c1C(=O)CCN2
InChIInChI=1S/C23H23FN8O2/c1-2-11-30(21-18-16(33)8-10-26-20(18)27-23(25)28-21)13-17-29-31-12-9-15(24)19(31)22(34)32(17)14-6-4-3-5-7-14/h3-7,9,12H,2,8,10-11,13H2,1H3,(H3,25,26,27,28)
InChIKeySNVUVANCCAMUAX-UHFFFAOYSA-N
MW462.49 g/mol
LogP2.41
Rot. Bonds6

About 2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one

2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 144558139) has the molecular formula C23H23FN8O2 and a molecular weight of 462.49 g/mol. Its IUPAC name is 2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID144558139
Molecular FormulaC23H23FN8O2
Molecular Weight462.49 g/mol
Exact Mass462.19
IUPAC Name2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one
SMILESCCCN(Cc1nn2ccc(F)c2c(=O)n1-c1ccccc1)c1nc(N)nc2c1C(=O)CCN2
InChIInChI=1S/C23H23FN8O2/c1-2-11-30(21-18-16(33)8-10-26-20(18)27-23(25)28-21)13-17-29-31-12-9-15(24)19(31)22(34)32(17)14-6-4-3-5-7-14/h3-7,9,12H,2,8,10-11,13H2,1H3,(H3,25,26,27,28)
InChIKeySNVUVANCCAMUAX-UHFFFAOYSA-N
XLogP2.41
TPSA123.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

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
2-amino-4-[(3S)-2-(5-chloro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-3-methylazetidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one
CID 118478018
2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144557996
5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 134446028
2-[(3S)-1-(2-amino-5-oxo-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dimethylazetidin-2-yl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 122462505
2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one
CID 118445986
5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144557981
2-[[[6-amino-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144557890
tert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate
CID 123696790
4-amino-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
CID 145212601
5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 123264331
5-chloro-2-[[2-fluoropropyl(7H-purin-6-yl)amino]methyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144557880

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one (CID 144558139) is 2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one is CCCN(Cc1nn2ccc(F)c2c(=O)n1-c1ccccc1)c1nc(N)nc2c1C(=O)CCN2.
What is the InChIKey of 2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is SNVUVANCCAMUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O2/c1-2-11-30(21-18-16(33)8-10-26-20(18)27-23(25)28-21)13-17-29-31-12-9-15(24)19(31)22(34)32(17)14-6-4-3-5-7-14/h3-7,9,12H,2,8,10-11,13H2,1H3,(H3,25,26,27,28).
What are the key properties of 2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one?
2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 462.49 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 144558139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).