1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea

C18H18FN3O2 — CID 146143349

IUPAC1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(Nc1cnc2c(c1)COCC2)N[C@@H]1CCc2cc(F)ccc21
InChIInChI=1S/C18H18FN3O2/c19-13-2-3-15-11(7-13)1-4-17(15)22-18(23)21-14-8-12-10-24-6-5-16(12)20-9-14/h2-3,7-9,17H,1,4-6,10H2,(H2,21,22,23)/t17-/m1/s1
InChIKeyNBYXTJHKFSEYPA-QGZVFWFLSA-N
MW327.36 g/mol
LogP3.10
Rot. Bonds2

About 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea

1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 146143349) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID146143349
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(Nc1cnc2c(c1)COCC2)N[C@@H]1CCc2cc(F)ccc21
InChIInChI=1S/C18H18FN3O2/c19-13-2-3-15-11(7-13)1-4-17(15)22-18(23)21-14-8-12-10-24-6-5-16(12)20-9-14/h2-3,7-9,17H,1,4-6,10H2,(H2,21,22,23)/t17-/m1/s1
InChIKeyNBYXTJHKFSEYPA-QGZVFWFLSA-N
XLogP3.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea (CID 146143349) is 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea is O=C(Nc1cnc2c(c1)COCC2)N[C@@H]1CCc2cc(F)ccc21.
What is the InChIKey of 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is NBYXTJHKFSEYPA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-13-2-3-15-11(7-13)1-4-17(15)22-18(23)21-14-8-12-10-24-6-5-16(12)20-9-14/h2-3,7-9,17H,1,4-6,10H2,(H2,21,22,23)/t17-/m1/s1.
What are the key properties of 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea?
1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 327.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 146143349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).