2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

C22H30FN5O — CID 145116979

IUPAC2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCN(CC)CCN1CCc2[nH]c(/C=C(\N)c3cc(F)ccc3N)c(C)c2C1=O
InChIInChI=1S/C22H30FN5O/c1-4-27(5-2)10-11-28-9-8-19-21(22(28)29)14(3)20(26-19)13-18(25)16-12-15(23)6-7-17(16)24/h6-7,12-13,26H,4-5,8-11,24-25H2,1-3H3/b18-13-
InChIKeyUOJKSHFQDBBGHB-AQTBWJFISA-N
MW399.51 g/mol
LogP2.84
Rot. Bonds7

About 2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 145116979) has the molecular formula C22H30FN5O and a molecular weight of 399.51 g/mol. Its IUPAC name is 2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID145116979
Molecular FormulaC22H30FN5O
Molecular Weight399.51 g/mol
Exact Mass399.24
IUPAC Name2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCN(CC)CCN1CCc2[nH]c(/C=C(\N)c3cc(F)ccc3N)c(C)c2C1=O
InChIInChI=1S/C22H30FN5O/c1-4-27(5-2)10-11-28-9-8-19-21(22(28)29)14(3)20(26-19)13-18(25)16-12-15(23)6-7-17(16)24/h6-7,12-13,26H,4-5,8-11,24-25H2,1-3H3/b18-13-
InChIKeyUOJKSHFQDBBGHB-AQTBWJFISA-N
XLogP2.84
TPSA91.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 145116979) is 2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is CCN(CC)CCN1CCc2[nH]c(/C=C(\N)c3cc(F)ccc3N)c(C)c2C1=O.
What is the InChIKey of 2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is UOJKSHFQDBBGHB-AQTBWJFISA-N. The full InChI is InChI=1S/C22H30FN5O/c1-4-27(5-2)10-11-28-9-8-19-21(22(28)29)14(3)20(26-19)13-18(25)16-12-15(23)6-7-17(16)24/h6-7,12-13,26H,4-5,8-11,24-25H2,1-3H3/b18-13-.
What are the key properties of 2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 399.51 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-amino-2-(2-amino-5-fluorophenyl)ethenyl]-5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 145116979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).