[1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methylcarbamic acid

C26H27N5O3 — CID 122441849

IUPAC[1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methylcarbamic acid
SMILESO=C(O)NCC1CCCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)C1
InChIInChI=1S/C26H27N5O3/c32-26(33)27-15-19-7-4-14-31(16-19)23-13-12-22-25(29-23)30-24(28-22)20-8-10-21(11-9-20)34-17-18-5-2-1-3-6-18/h1-3,5-6,8-13,19,27H,4,7,14-17H2,(H,32,33)(H,28,29,30)
InChIKeyFDQLNXAFLWDTPZ-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.69
Rot. Bonds7

About [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methylcarbamic acid

[1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methylcarbamic acid (PubChem CID 122441849) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methylcarbamic acid
PubChem CID122441849
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name[1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methylcarbamic acid
SMILESO=C(O)NCC1CCCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)C1
InChIInChI=1S/C26H27N5O3/c32-26(33)27-15-19-7-4-14-31(16-19)23-13-12-22-25(29-23)30-24(28-22)20-8-10-21(11-9-20)34-17-18-5-2-1-3-6-18/h1-3,5-6,8-13,19,27H,4,7,14-17H2,(H,32,33)(H,28,29,30)
InChIKeyFDQLNXAFLWDTPZ-UHFFFAOYSA-N
XLogP4.69
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methylcarbamic acid?
The IUPAC name of [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methylcarbamic acid (CID 122441849) is [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methylcarbamic acid.
What is the SMILES notation for [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methylcarbamic acid?
The canonical SMILES for [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methylcarbamic acid is O=C(O)NCC1CCCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)C1.
What is the InChIKey of [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methylcarbamic acid?
The InChIKey is FDQLNXAFLWDTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c32-26(33)27-15-19-7-4-14-31(16-19)23-13-12-22-25(29-23)30-24(28-22)20-8-10-21(11-9-20)34-17-18-5-2-1-3-6-18/h1-3,5-6,8-13,19,27H,4,7,14-17H2,(H,32,33)(H,28,29,30).
What are the key properties of [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methylcarbamic acid?
[1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methylcarbamic acid has a molecular weight of 457.53 g/mol, XLogP of 4.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methylcarbamic acid is sourced from PubChem (CID 122441849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).