N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine

C30H34FN7 — CID 10118424

IUPACN-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](CN2CCc4ccccc4C2)CC3)n1
InChIInChI=1S/C30H34FN7/c1-36(2)18-16-33-30-32-15-13-26(34-30)29-28(22-7-9-24(31)10-8-22)35-27-12-11-25(38(27)29)20-37-17-14-21-5-3-4-6-23(21)19-37/h3-10,13,15,25H,11-12,14,16-20H2,1-2H3,(H,32,33,34)/t25-/m0/s1
InChIKeyUACCRCJETYSULA-VWLOTQADSA-N
MW511.65 g/mol
LogP4.67
Rot. Bonds8

About N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine

N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 10118424) has the molecular formula C30H34FN7 and a molecular weight of 511.65 g/mol. Its IUPAC name is N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID10118424
Molecular FormulaC30H34FN7
Molecular Weight511.65 g/mol
Exact Mass511.29
IUPAC NameN-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](CN2CCc4ccccc4C2)CC3)n1
InChIInChI=1S/C30H34FN7/c1-36(2)18-16-33-30-32-15-13-26(34-30)29-28(22-7-9-24(31)10-8-22)35-27-12-11-25(38(27)29)20-37-17-14-21-5-3-4-6-23(21)19-37/h3-10,13,15,25H,11-12,14,16-20H2,1-2H3,(H,32,33,34)/t25-/m0/s1
InChIKeyUACCRCJETYSULA-VWLOTQADSA-N
XLogP4.67
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.65
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine 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 N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 10118424) is N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](CN2CCc4ccccc4C2)CC3)n1.
What is the InChIKey of N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is UACCRCJETYSULA-VWLOTQADSA-N. The full InChI is InChI=1S/C30H34FN7/c1-36(2)18-16-33-30-32-15-13-26(34-30)29-28(22-7-9-24(31)10-8-22)35-27-12-11-25(38(27)29)20-37-17-14-21-5-3-4-6-23(21)19-37/h3-10,13,15,25H,11-12,14,16-20H2,1-2H3,(H,32,33,34)/t25-/m0/s1.
What are the key properties of N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine?
N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 511.65 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 10118424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).