1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea

C25H30N4O2 — CID 155456102

IUPAC1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(C2CCC([C@H](O)c3c(C4CC4)ccc4cncn34)CC2)cc1
InChIInChI=1S/C25H30N4O2/c1-26-25(31)28-20-10-8-17(9-11-20)16-2-6-19(7-3-16)24(30)23-22(18-4-5-18)13-12-21-14-27-15-29(21)23/h8-16,18-19,24,30H,2-7H2,1H3,(H2,26,28,31)/t16?,19?,24-/m0/s1
InChIKeyAVXOQGVJXRJQRN-UNWOSTBVSA-N
MW418.54 g/mol
LogP4.97
Rot. Bonds5

About 1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea

1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea (PubChem CID 155456102) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea
PubChem CID155456102
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(C2CCC([C@H](O)c3c(C4CC4)ccc4cncn34)CC2)cc1
InChIInChI=1S/C25H30N4O2/c1-26-25(31)28-20-10-8-17(9-11-20)16-2-6-19(7-3-16)24(30)23-22(18-4-5-18)13-12-21-14-27-15-29(21)23/h8-16,18-19,24,30H,2-7H2,1H3,(H2,26,28,31)/t16?,19?,24-/m0/s1
InChIKeyAVXOQGVJXRJQRN-UNWOSTBVSA-N
XLogP4.97
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea (CID 155456102) is 1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea is CNC(=O)Nc1ccc(C2CCC([C@H](O)c3c(C4CC4)ccc4cncn34)CC2)cc1.
What is the InChIKey of 1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea?
The InChIKey is AVXOQGVJXRJQRN-UNWOSTBVSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-26-25(31)28-20-10-8-17(9-11-20)16-2-6-19(7-3-16)24(30)23-22(18-4-5-18)13-12-21-14-27-15-29(21)23/h8-16,18-19,24,30H,2-7H2,1H3,(H2,26,28,31)/t16?,19?,24-/m0/s1.
What are the key properties of 1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea?
1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea has a molecular weight of 418.54 g/mol, XLogP of 4.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea is sourced from PubChem (CID 155456102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).