5-[(3-fluorophenyl)methyl]-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

C21H26FN3O2 — CID 95100053

IUPAC5-[(3-fluorophenyl)methyl]-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NC[C@H]2CCCO2)cc2c1CCN(Cc1cccc(F)c1)C2
InChIInChI=1S/C21H26FN3O2/c1-24-19-7-8-25(13-15-4-2-5-17(22)10-15)14-16(19)11-20(24)21(26)23-12-18-6-3-9-27-18/h2,4-5,10-11,18H,3,6-9,12-14H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyMANRRJIUMCTGCX-GOSISDBHSA-N
MW371.46 g/mol
LogP2.63
Rot. Bonds5

About 5-[(3-fluorophenyl)methyl]-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

5-[(3-fluorophenyl)methyl]-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 95100053) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID95100053
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name5-[(3-fluorophenyl)methyl]-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NC[C@H]2CCCO2)cc2c1CCN(Cc1cccc(F)c1)C2
InChIInChI=1S/C21H26FN3O2/c1-24-19-7-8-25(13-15-4-2-5-17(22)10-15)14-16(19)11-20(24)21(26)23-12-18-6-3-9-27-18/h2,4-5,10-11,18H,3,6-9,12-14H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyMANRRJIUMCTGCX-GOSISDBHSA-N
XLogP2.63
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-fluorophenyl)methyl]-1-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160810
5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 155926291
5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160831
3-bromo-4-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040431
7-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134072440
3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93040104
2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94087831
5-[(3-fluorophenyl)methyl]-6-oxo-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide
CID 3451889
N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 126425605
11-benzyl-2-ethyl-8-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-triene-4-carboxamide
CID 95064262
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160790

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 95100053) is 5-[(3-fluorophenyl)methyl]-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is Cn1c(C(=O)NC[C@H]2CCCO2)cc2c1CCN(Cc1cccc(F)c1)C2.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is MANRRJIUMCTGCX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-24-19-7-8-25(13-15-4-2-5-17(22)10-15)14-16(19)11-20(24)21(26)23-12-18-6-3-9-27-18/h2,4-5,10-11,18H,3,6-9,12-14H2,1H3,(H,23,26)/t18-/m1/s1.
What are the key properties of 5-[(3-fluorophenyl)methyl]-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
5-[(3-fluorophenyl)methyl]-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 95100053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).