[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

C24H25N5O2 — CID 156811037

IUPAC[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Cn2cnc(-n3ccc4cc(C(=O)N5CCCCC5)cnc43)c2)cc1
InChIInChI=1S/C24H25N5O2/c1-31-21-7-5-18(6-8-21)15-27-16-22(26-17-27)29-12-9-19-13-20(14-25-23(19)29)24(30)28-10-3-2-4-11-28/h5-9,12-14,16-17H,2-4,10-11,15H2,1H3
InChIKeyRXIXOHVXCQHOCE-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.90
Rot. Bonds5

About [1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (PubChem CID 156811037) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is [1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
PubChem CID156811037
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Cn2cnc(-n3ccc4cc(C(=O)N5CCCCC5)cnc43)c2)cc1
InChIInChI=1S/C24H25N5O2/c1-31-21-7-5-18(6-8-21)15-27-16-22(26-17-27)29-12-9-19-13-20(14-25-23(19)29)24(30)28-10-3-2-4-11-28/h5-9,12-14,16-17H,2-4,10-11,15H2,1H3
InChIKeyRXIXOHVXCQHOCE-UHFFFAOYSA-N
XLogP3.90
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (CID 156811037) is [1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is COc1ccc(Cn2cnc(-n3ccc4cc(C(=O)N5CCCCC5)cnc43)c2)cc1.
What is the InChIKey of [1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is RXIXOHVXCQHOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-31-21-7-5-18(6-8-21)15-27-16-22(26-17-27)29-12-9-19-13-20(14-25-23(19)29)24(30)28-10-3-2-4-11-28/h5-9,12-14,16-17H,2-4,10-11,15H2,1H3.
What are the key properties of [1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 415.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 156811037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).