1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea

C18H19N5O2 — CID 110013076

IUPAC1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
SMILESO=C(NCc1ccnc2ccnn12)NCC1(O)CCc2ccccc21
InChIInChI=1S/C18H19N5O2/c24-17(20-11-14-6-9-19-16-7-10-22-23(14)16)21-12-18(25)8-5-13-3-1-2-4-15(13)18/h1-4,6-7,9-10,25H,5,8,11-12H2,(H2,20,21,24)
InChIKeyPGEKBDBFHJRADK-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.36
Rot. Bonds4

About 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea

1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea (PubChem CID 110013076) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
PubChem CID110013076
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
SMILESO=C(NCc1ccnc2ccnn12)NCC1(O)CCc2ccccc21
InChIInChI=1S/C18H19N5O2/c24-17(20-11-14-6-9-19-16-7-10-22-23(14)16)21-12-18(25)8-5-13-3-1-2-4-15(13)18/h1-4,6-7,9-10,25H,5,8,11-12H2,(H2,20,21,24)
InChIKeyPGEKBDBFHJRADK-UHFFFAOYSA-N
XLogP1.36
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The IUPAC name of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea (CID 110013076) is 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea.
What is the SMILES notation for 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The canonical SMILES for 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea is O=C(NCc1ccnc2ccnn12)NCC1(O)CCc2ccccc21.
What is the InChIKey of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The InChIKey is PGEKBDBFHJRADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-17(20-11-14-6-9-19-16-7-10-22-23(14)16)21-12-18(25)8-5-13-3-1-2-4-15(13)18/h1-4,6-7,9-10,25H,5,8,11-12H2,(H2,20,21,24).
What are the key properties of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea has a molecular weight of 337.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea is sourced from PubChem (CID 110013076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).