2-[[(3S,4R)-4-fluoro-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine

C19H21FN4O2 — CID 75410534

IUPAC2-[[(3S,4R)-4-fluoro-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine
SMILESCOc1ccccc1CN1C[C@@H](F)[C@@H](OCc2nc3ccncc3[nH]2)C1
InChIInChI=1S/C19H21FN4O2/c1-25-17-5-3-2-4-13(17)9-24-10-14(20)18(11-24)26-12-19-22-15-6-7-21-8-16(15)23-19/h2-8,14,18H,9-12H2,1H3,(H,22,23)/t14-,18+/m1/s1
InChIKeyTZBNMUXUIASPAN-KDOFPFPSSA-N
MW356.40 g/mol
LogP2.71
Rot. Bonds6

About 2-[[(3S,4R)-4-fluoro-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine

2-[[(3S,4R)-4-fluoro-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine (PubChem CID 75410534) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[[(3S,4R)-4-fluoro-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[[(3S,4R)-4-fluoro-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine
PubChem CID75410534
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name2-[[(3S,4R)-4-fluoro-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine
SMILESCOc1ccccc1CN1C[C@@H](F)[C@@H](OCc2nc3ccncc3[nH]2)C1
InChIInChI=1S/C19H21FN4O2/c1-25-17-5-3-2-4-13(17)9-24-10-14(20)18(11-24)26-12-19-22-15-6-7-21-8-16(15)23-19/h2-8,14,18H,9-12H2,1H3,(H,22,23)/t14-,18+/m1/s1
InChIKeyTZBNMUXUIASPAN-KDOFPFPSSA-N
XLogP2.71
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4R)-4-fluoro-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[[(3S,4R)-4-fluoro-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine (CID 75410534) is 2-[[(3S,4R)-4-fluoro-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[[(3S,4R)-4-fluoro-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[[(3S,4R)-4-fluoro-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine is COc1ccccc1CN1C[C@@H](F)[C@@H](OCc2nc3ccncc3[nH]2)C1.
What is the InChIKey of 2-[[(3S,4R)-4-fluoro-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine?
The InChIKey is TZBNMUXUIASPAN-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-25-17-5-3-2-4-13(17)9-24-10-14(20)18(11-24)26-12-19-22-15-6-7-21-8-16(15)23-19/h2-8,14,18H,9-12H2,1H3,(H,22,23)/t14-,18+/m1/s1.
What are the key properties of 2-[[(3S,4R)-4-fluoro-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine?
2-[[(3S,4R)-4-fluoro-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 356.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4R)-4-fluoro-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 75410534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).