1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea

C21H20N6O — CID 90164320

IUPAC1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C(Nc1ccc2ncc(-c3cnc4[nH]ccc4c3)cc2n1)NC1CCCC1
InChIInChI=1S/C21H20N6O/c28-21(25-16-3-1-2-4-16)27-19-6-5-17-18(26-19)10-15(11-23-17)14-9-13-7-8-22-20(13)24-12-14/h5-12,16H,1-4H2,(H,22,24)(H2,25,26,27,28)
InChIKeyMYHMVRFOPZAAQB-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.24
Rot. Bonds3

About 1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea

1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea (PubChem CID 90164320) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea
PubChem CID90164320
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C(Nc1ccc2ncc(-c3cnc4[nH]ccc4c3)cc2n1)NC1CCCC1
InChIInChI=1S/C21H20N6O/c28-21(25-16-3-1-2-4-16)27-19-6-5-17-18(26-19)10-15(11-23-17)14-9-13-7-8-22-20(13)24-12-14/h5-12,16H,1-4H2,(H,22,24)(H2,25,26,27,28)
InChIKeyMYHMVRFOPZAAQB-UHFFFAOYSA-N
XLogP4.24
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 71249335
1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 71249446
1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea
CID 136628684
1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164275
1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164354
1-(3-methylcyclohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 46235785
1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164265
1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 71249479
6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinoxaline
CID 141301480
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-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea (CID 90164320) is 1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea is O=C(Nc1ccc2ncc(-c3cnc4[nH]ccc4c3)cc2n1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea?
The InChIKey is MYHMVRFOPZAAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-21(25-16-3-1-2-4-16)27-19-6-5-17-18(26-19)10-15(11-23-17)14-9-13-7-8-22-20(13)24-12-14/h5-12,16H,1-4H2,(H,22,24)(H2,25,26,27,28).
What are the key properties of 1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea?
1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea has a molecular weight of 372.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea is sourced from PubChem (CID 90164320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).