1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea

C22H29N5O2 — CID 3212345

IUPAC1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea
SMILESCCCCc1nc2cc(NC(=O)NCC)c(C)nc2n1Cc1ccc(OC)cc1
InChIInChI=1S/C22H29N5O2/c1-5-7-8-20-25-19-13-18(26-22(28)23-6-2)15(3)24-21(19)27(20)14-16-9-11-17(29-4)12-10-16/h9-13H,5-8,14H2,1-4H3,(H2,23,26,28)
InChIKeyWICVCHGXSHSHJV-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.28
Rot. Bonds8

About 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea

1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea (PubChem CID 3212345) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea
PubChem CID3212345
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea
SMILESCCCCc1nc2cc(NC(=O)NCC)c(C)nc2n1Cc1ccc(OC)cc1
InChIInChI=1S/C22H29N5O2/c1-5-7-8-20-25-19-13-18(26-22(28)23-6-2)15(3)24-21(19)27(20)14-16-9-11-17(29-4)12-10-16/h9-13H,5-8,14H2,1-4H3,(H2,23,26,28)
InChIKeyWICVCHGXSHSHJV-UHFFFAOYSA-N
XLogP4.28
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3212343
1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea
CID 1437848
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea
CID 3205884
2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-amine
CID 3212346
1-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea
CID 3197696
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-(4-chlorophenyl)urea
CID 3205887
tert-butyl N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]carbamate
CID 3205871
N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide
CID 3205877
N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
CID 3197681
N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
CID 3197690
N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide
CID 3205882
1-ethyl-3-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea
CID 1437823

Frequently Asked Questions

What is the IUPAC name of 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea?
The IUPAC name of 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea (CID 3212345) is 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea.
What is the SMILES notation for 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea?
The canonical SMILES for 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea is CCCCc1nc2cc(NC(=O)NCC)c(C)nc2n1Cc1ccc(OC)cc1.
What is the InChIKey of 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea?
The InChIKey is WICVCHGXSHSHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-5-7-8-20-25-19-13-18(26-22(28)23-6-2)15(3)24-21(19)27(20)14-16-9-11-17(29-4)12-10-16/h9-13H,5-8,14H2,1-4H3,(H2,23,26,28).
What are the key properties of 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea?
1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea has a molecular weight of 395.51 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea is sourced from PubChem (CID 3212345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).