1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea

C25H37N7O3 — CID 163526328

IUPAC1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
SMILESCOCCN(CC/N=C/C(=CN)c1cnc2ccc(NC(=O)NC3CCCC3)nc2c1)CCOC
InChIInChI=1S/C25H37N7O3/c1-34-13-11-32(12-14-35-2)10-9-27-17-20(16-26)19-15-23-22(28-18-19)7-8-24(30-23)31-25(33)29-21-5-3-4-6-21/h7-8,15-18,21H,3-6,9-14,26H2,1-2H3,(H2,29,30,31,33)/b20-16?,27-17+
InChIKeyQROJKDYBZGUYGL-QPGAFHGISA-N
MW483.62 g/mol
LogP2.66
Rot. Bonds13

About 1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea

1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea (PubChem CID 163526328) has the molecular formula C25H37N7O3 and a molecular weight of 483.62 g/mol. Its IUPAC name is 1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
PubChem CID163526328
Molecular FormulaC25H37N7O3
Molecular Weight483.62 g/mol
Exact Mass483.30
IUPAC Name1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
SMILESCOCCN(CC/N=C/C(=CN)c1cnc2ccc(NC(=O)NC3CCCC3)nc2c1)CCOC
InChIInChI=1S/C25H37N7O3/c1-34-13-11-32(12-14-35-2)10-9-27-17-20(16-26)19-15-23-22(28-18-19)7-8-24(30-23)31-25(33)29-21-5-3-4-6-21/h7-8,15-18,21H,3-6,9-14,26H2,1-2H3,(H2,29,30,31,33)/b20-16?,27-17+
InChIKeyQROJKDYBZGUYGL-QPGAFHGISA-N
XLogP2.66
TPSA126.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea with MolForge

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

Launch Full Analysis

Related Compounds

1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 144521311
tert-butyl 4-[2-[[3-amino-2-[6-(cyclopentylcarbamothioylamino)-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]ethyl]piperazine-1-carboxylate
CID 144521313
1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea
CID 136628684
1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea
CID 144521336
1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 90166377
1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea
CID 90164320
1-cyclopentyl-3-[7-(2-oxo-1H-pyridin-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164218
1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 71249446
7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 147983599
2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide
CID 144665730
1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164275
1-[7-[2-(azetidin-3-ylmethyl)-3,4-dihydropyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 71249459

Frequently Asked Questions

What is the IUPAC name of 1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea?
The IUPAC name of 1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea (CID 163526328) is 1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea.
What is the SMILES notation for 1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea?
The canonical SMILES for 1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea is COCCN(CC/N=C/C(=CN)c1cnc2ccc(NC(=O)NC3CCCC3)nc2c1)CCOC.
What is the InChIKey of 1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea?
The InChIKey is QROJKDYBZGUYGL-QPGAFHGISA-N. The full InChI is InChI=1S/C25H37N7O3/c1-34-13-11-32(12-14-35-2)10-9-27-17-20(16-26)19-15-23-22(28-18-19)7-8-24(30-23)31-25(33)29-21-5-3-4-6-21/h7-8,15-18,21H,3-6,9-14,26H2,1-2H3,(H2,29,30,31,33)/b20-16?,27-17+.
What are the key properties of 1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea?
1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea has a molecular weight of 483.62 g/mol, XLogP of 2.66, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea is sourced from PubChem (CID 163526328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).