1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea

C23H26N4O4 — CID 136628684

IUPAC1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea
SMILESCOCCOc1cc(-c2cnc3ccc(NC(=O)NC4CCCC4)nc3c2)ccc1O
InChIInChI=1S/C23H26N4O4/c1-30-10-11-31-21-13-15(6-8-20(21)28)16-12-19-18(24-14-16)7-9-22(26-19)27-23(29)25-17-4-2-3-5-17/h6-9,12-14,17,28H,2-5,10-11H2,1H3,(H2,25,26,27,29)
InChIKeyWBYPZFDVRTWJAJ-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.09
Rot. Bonds7

About 1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea

1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea (PubChem CID 136628684) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea
PubChem CID136628684
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea
SMILESCOCCOc1cc(-c2cnc3ccc(NC(=O)NC4CCCC4)nc3c2)ccc1O
InChIInChI=1S/C23H26N4O4/c1-30-10-11-31-21-13-15(6-8-20(21)28)16-12-19-18(24-14-16)7-9-22(26-19)27-23(29)25-17-4-2-3-5-17/h6-9,12-14,17,28H,2-5,10-11H2,1H3,(H2,25,26,27,29)
InChIKeyWBYPZFDVRTWJAJ-UHFFFAOYSA-N
XLogP4.09
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-[7-(2-oxo-1H-pyridin-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164218
1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea
CID 90164320
1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164275
1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 71249446
1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 71249335
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
1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164354
1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164265
1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 90166377
1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47033897
1-[7-[2-(azetidin-3-ylmethyl)-3,4-dihydropyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 71249459
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea (CID 136628684) is 1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea is COCCOc1cc(-c2cnc3ccc(NC(=O)NC4CCCC4)nc3c2)ccc1O.
What is the InChIKey of 1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea?
The InChIKey is WBYPZFDVRTWJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-30-10-11-31-21-13-15(6-8-20(21)28)16-12-19-18(24-14-16)7-9-22(26-19)27-23(29)25-17-4-2-3-5-17/h6-9,12-14,17,28H,2-5,10-11H2,1H3,(H2,25,26,27,29).
What are the key properties of 1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea?
1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea has a molecular weight of 422.49 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea is sourced from PubChem (CID 136628684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).