tert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate

C30H35N5O3 — CID 90368180

IUPACtert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNc2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1
InChIInChI=1S/C30H35N5O3/c1-30(2,3)38-29(36)35-17-15-21(16-18-35)19-31-26-14-13-25-28(33-26)34-27(32-25)23-9-11-24(12-10-23)37-20-22-7-5-4-6-8-22/h4-14,21H,15-20H2,1-3H3,(H2,31,32,33,34)
InChIKeySUZLSQGFHGHTIG-UHFFFAOYSA-N
MW513.64 g/mol
LogP6.26
Rot. Bonds7

About tert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate (PubChem CID 90368180) has the molecular formula C30H35N5O3 and a molecular weight of 513.64 g/mol. Its IUPAC name is tert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate
PubChem CID90368180
Molecular FormulaC30H35N5O3
Molecular Weight513.64 g/mol
Exact Mass513.27
IUPAC Nametert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNc2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1
InChIInChI=1S/C30H35N5O3/c1-30(2,3)38-29(36)35-17-15-21(16-18-35)19-31-26-14-13-25-28(33-26)34-27(32-25)23-9-11-24(12-10-23)37-20-22-7-5-4-6-8-22/h4-14,21H,15-20H2,1-3H3,(H2,31,32,33,34)
InChIKeySUZLSQGFHGHTIG-UHFFFAOYSA-N
XLogP6.26
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
Imidazopyridine-urea, 43
CID 10164190
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(4-methoxyphenyl)methyl]propanamide
CID 16009052
2-(4-butoxyphenyl)-1H-benzimidazole
CID 5176717
2-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}-1H-benzimidazole
CID 10268039
2-(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy}-phenyl)-1H-benzoimidazole
CID 10456040
6-(4-Methoxy-phenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10642181
2-[4-[7-[4-(1H-benzimidazol-2-yl)phenoxy]heptoxy]phenyl]-1H-benzimidazole
CID 25255577
N-[3-[[6-(4-methoxyphenyl)-7H-purin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
CID 57403897
3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 122445670
N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide
CID 155681499
Prmt5-IN-19
CID 164517203

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate (CID 90368180) is tert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNc2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1.
What is the InChIKey of tert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is SUZLSQGFHGHTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O3/c1-30(2,3)38-29(36)35-17-15-21(16-18-35)19-31-26-14-13-25-28(33-26)34-27(32-25)23-9-11-24(12-10-23)37-20-22-7-5-4-6-8-22/h4-14,21H,15-20H2,1-3H3,(H2,31,32,33,34).
What are the key properties of tert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 513.64 g/mol, XLogP of 6.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 90368180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).