4-[1-[(1-methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine

C28H37N5O2 — CID 134805347

IUPAC4-[1-[(1-methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
SMILESCN1CCC(Cn2ccc3c(N4CCOCC4)nc(-c4cccc(N5CCOCC5)c4)cc32)CC1
InChIInChI=1S/C28H37N5O2/c1-30-8-5-22(6-9-30)21-33-10-7-25-27(33)20-26(29-28(25)32-13-17-35-18-14-32)23-3-2-4-24(19-23)31-11-15-34-16-12-31/h2-4,7,10,19-20,22H,5-6,8-9,11-18,21H2,1H3
InChIKeyPDRNQWXEHHXXGS-UHFFFAOYSA-N
MW475.64 g/mol
LogP3.72
Rot. Bonds5

About 4-[1-[(1-methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine

4-[1-[(1-methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine (PubChem CID 134805347) has the molecular formula C28H37N5O2 and a molecular weight of 475.64 g/mol. Its IUPAC name is 4-[1-[(1-methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(1-methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
PubChem CID134805347
Molecular FormulaC28H37N5O2
Molecular Weight475.64 g/mol
Exact Mass475.29
IUPAC Name4-[1-[(1-methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
SMILESCN1CCC(Cn2ccc3c(N4CCOCC4)nc(-c4cccc(N5CCOCC5)c4)cc32)CC1
InChIInChI=1S/C28H37N5O2/c1-30-8-5-22(6-9-30)21-33-10-7-25-27(33)20-26(29-28(25)32-13-17-35-18-14-32)23-3-2-4-24(19-23)31-11-15-34-16-12-31/h2-4,7,10,19-20,22H,5-6,8-9,11-18,21H2,1H3
InChIKeyPDRNQWXEHHXXGS-UHFFFAOYSA-N
XLogP3.72
TPSA46.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The IUPAC name of 4-[1-[(1-methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine (CID 134805347) is 4-[1-[(1-methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[(1-methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[1-[(1-methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine is CN1CCC(Cn2ccc3c(N4CCOCC4)nc(-c4cccc(N5CCOCC5)c4)cc32)CC1.
What is the InChIKey of 4-[1-[(1-methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The InChIKey is PDRNQWXEHHXXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O2/c1-30-8-5-22(6-9-30)21-33-10-7-25-27(33)20-26(29-28(25)32-13-17-35-18-14-32)23-3-2-4-24(19-23)31-11-15-34-16-12-31/h2-4,7,10,19-20,22H,5-6,8-9,11-18,21H2,1H3.
What are the key properties of 4-[1-[(1-methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
4-[1-[(1-methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine has a molecular weight of 475.64 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 134805347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).