1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea

C24H23N5O — CID 167754978

IUPAC1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea
SMILESO=C(NCc1ccc(CN2CCc3ccccc32)cc1)Nc1ccn2ccnc2c1
InChIInChI=1S/C24H23N5O/c30-24(27-21-10-13-28-14-11-25-23(28)15-21)26-16-18-5-7-19(8-6-18)17-29-12-9-20-3-1-2-4-22(20)29/h1-8,10-11,13-15H,9,12,16-17H2,(H2,26,27,30)
InChIKeyMEVMJRVICHJWBD-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.22
Rot. Bonds5

About 1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea

1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea (PubChem CID 167754978) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea.

Molecular Properties

Compound Name1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea
PubChem CID167754978
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea
SMILESO=C(NCc1ccc(CN2CCc3ccccc32)cc1)Nc1ccn2ccnc2c1
InChIInChI=1S/C24H23N5O/c30-24(27-21-10-13-28-14-11-25-23(28)15-21)26-16-18-5-7-19(8-6-18)17-29-12-9-20-3-1-2-4-22(20)29/h1-8,10-11,13-15H,9,12,16-17H2,(H2,26,27,30)
InChIKeyMEVMJRVICHJWBD-UHFFFAOYSA-N
XLogP4.22
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea?
The IUPAC name of 1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea (CID 167754978) is 1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea.
What is the SMILES notation for 1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea?
The canonical SMILES for 1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea is O=C(NCc1ccc(CN2CCc3ccccc32)cc1)Nc1ccn2ccnc2c1.
What is the InChIKey of 1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea?
The InChIKey is MEVMJRVICHJWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24(27-21-10-13-28-14-11-25-23(28)15-21)26-16-18-5-7-19(8-6-18)17-29-12-9-20-3-1-2-4-22(20)29/h1-8,10-11,13-15H,9,12,16-17H2,(H2,26,27,30).
What are the key properties of 1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea?
1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea has a molecular weight of 397.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea is sourced from PubChem (CID 167754978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).