(4R)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C18H24N4O — CID 95129066

IUPAC(4R)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCOc1ccc([C@H]2NCCc3[nH]cnc32)cc1CN1CCCC1
InChIInChI=1S/C18H24N4O/c1-23-16-5-4-13(10-14(16)11-22-8-2-3-9-22)17-18-15(6-7-19-17)20-12-21-18/h4-5,10,12,17,19H,2-3,6-9,11H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyUXTZQWBOZSHQKE-QGZVFWFLSA-N
MW312.42 g/mol
LogP2.25
Rot. Bonds4

About (4R)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

(4R)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 95129066) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (4R)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID95129066
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(4R)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCOc1ccc([C@H]2NCCc3[nH]cnc32)cc1CN1CCCC1
InChIInChI=1S/C18H24N4O/c1-23-16-5-4-13(10-14(16)11-22-8-2-3-9-22)17-18-15(6-7-19-17)20-12-21-18/h4-5,10,12,17,19H,2-3,6-9,11H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyUXTZQWBOZSHQKE-QGZVFWFLSA-N
XLogP2.25
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of (4R)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 95129066) is (4R)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is COc1ccc([C@H]2NCCc3[nH]cnc32)cc1CN1CCCC1.
What is the InChIKey of (4R)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is UXTZQWBOZSHQKE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N4O/c1-23-16-5-4-13(10-14(16)11-22-8-2-3-9-22)17-18-15(6-7-19-17)20-12-21-18/h4-5,10,12,17,19H,2-3,6-9,11H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (4R)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
(4R)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 312.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 95129066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).