N-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide

C23H33N11O4 — CID 57391191

IUPACN-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc(NC(=O)c2cc(NC(=O)c3nc(NC=O)cn3C)cn2CCCN)cn1C
InChIInChI=1S/C23H33N11O4/c1-31(2)9-7-25-22(37)19-29-18(13-33(19)4)30-21(36)16-10-15(11-34(16)8-5-6-24)27-23(38)20-28-17(26-14-35)12-32(20)3/h10-14H,5-9,24H2,1-4H3,(H,25,37)(H,26,35)(H,27,38)(H,30,36)
InChIKeyKIAZNMSICBRGKI-UHFFFAOYSA-N
MW527.59 g/mol
LogP-0.33
Rot. Bonds13

About N-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide

N-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide (PubChem CID 57391191) has the molecular formula C23H33N11O4 and a molecular weight of 527.59 g/mol. Its IUPAC name is N-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide
PubChem CID57391191
Molecular FormulaC23H33N11O4
Molecular Weight527.59 g/mol
Exact Mass527.27
IUPAC NameN-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc(NC(=O)c2cc(NC(=O)c3nc(NC=O)cn3C)cn2CCCN)cn1C
InChIInChI=1S/C23H33N11O4/c1-31(2)9-7-25-22(37)19-29-18(13-33(19)4)30-21(36)16-10-15(11-34(16)8-5-6-24)27-23(38)20-28-17(26-14-35)12-32(20)3/h10-14H,5-9,24H2,1-4H3,(H,25,37)(H,26,35)(H,27,38)(H,30,36)
InChIKeyKIAZNMSICBRGKI-UHFFFAOYSA-N
XLogP-0.33
TPSA186.23 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.59
LogP ≤ 5-0.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide 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-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide (CID 57391191) is N-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide is CN(C)CCNC(=O)c1nc(NC(=O)c2cc(NC(=O)c3nc(NC=O)cn3C)cn2CCCN)cn1C.
What is the InChIKey of N-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide?
The InChIKey is KIAZNMSICBRGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N11O4/c1-31(2)9-7-25-22(37)19-29-18(13-33(19)4)30-21(36)16-10-15(11-34(16)8-5-6-24)27-23(38)20-28-17(26-14-35)12-32(20)3/h10-14H,5-9,24H2,1-4H3,(H,25,37)(H,26,35)(H,27,38)(H,30,36).
What are the key properties of N-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide?
N-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide has a molecular weight of 527.59 g/mol, XLogP of -0.33, 13 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminopropyl)-5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]pyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 57391191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).