1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea

C24H29N5O3 — CID 72700633

IUPAC1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea
SMILESCC(C)(O)C(=O)N1CCC(c2ccc(NC(=O)NCc3ccn4ccnc4c3)cc2)CC1
InChIInChI=1S/C24H29N5O3/c1-24(2,32)22(30)29-12-8-19(9-13-29)18-3-5-20(6-4-18)27-23(31)26-16-17-7-11-28-14-10-25-21(28)15-17/h3-7,10-11,14-15,19,32H,8-9,12-13,16H2,1-2H3,(H2,26,27,31)
InChIKeyFKBOXTAHXDANPT-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.13
Rot. Bonds5

About 1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea

1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea (PubChem CID 72700633) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea
PubChem CID72700633
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea
SMILESCC(C)(O)C(=O)N1CCC(c2ccc(NC(=O)NCc3ccn4ccnc4c3)cc2)CC1
InChIInChI=1S/C24H29N5O3/c1-24(2,32)22(30)29-12-8-19(9-13-29)18-3-5-20(6-4-18)27-23(31)26-16-17-7-11-28-14-10-25-21(28)15-17/h3-7,10-11,14-15,19,32H,8-9,12-13,16H2,1-2H3,(H2,26,27,31)
InChIKeyFKBOXTAHXDANPT-UHFFFAOYSA-N
XLogP3.13
TPSA98.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea?
The IUPAC name of 1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea (CID 72700633) is 1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea.
What is the SMILES notation for 1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea?
The canonical SMILES for 1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea is CC(C)(O)C(=O)N1CCC(c2ccc(NC(=O)NCc3ccn4ccnc4c3)cc2)CC1.
What is the InChIKey of 1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea?
The InChIKey is FKBOXTAHXDANPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-24(2,32)22(30)29-12-8-19(9-13-29)18-3-5-20(6-4-18)27-23(31)26-16-17-7-11-28-14-10-25-21(28)15-17/h3-7,10-11,14-15,19,32H,8-9,12-13,16H2,1-2H3,(H2,26,27,31).
What are the key properties of 1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea?
1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea has a molecular weight of 435.53 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea is sourced from PubChem (CID 72700633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).