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

C22H29FN4O — CID 53160841

IUPAC5-[(3-fluorophenyl)methyl]-1-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCCN2CCCC2)cc2c1CCN(Cc1cccc(F)c1)C2
InChIInChI=1S/C22H29FN4O/c1-25-20-7-11-27(15-17-5-4-6-19(23)13-17)16-18(20)14-21(25)22(28)24-8-12-26-9-2-3-10-26/h4-6,13-14H,2-3,7-12,15-16H2,1H3,(H,24,28)
InChIKeyODFVGOGLZBTIFT-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.55
Rot. Bonds6

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

5-[(3-fluorophenyl)methyl]-1-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53160841) has the molecular formula C22H29FN4O and a molecular weight of 384.50 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-1-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-1-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53160841
Molecular FormulaC22H29FN4O
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC Name5-[(3-fluorophenyl)methyl]-1-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCCN2CCCC2)cc2c1CCN(Cc1cccc(F)c1)C2
InChIInChI=1S/C22H29FN4O/c1-25-20-7-11-27(15-17-5-4-6-19(23)13-17)16-18(20)14-21(25)22(28)24-8-12-26-9-2-3-10-26/h4-6,13-14H,2-3,7-12,15-16H2,1H3,(H,24,28)
InChIKeyODFVGOGLZBTIFT-UHFFFAOYSA-N
XLogP2.55
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-1-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-1-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 53160841) is 5-[(3-fluorophenyl)methyl]-1-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-1-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-1-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is Cn1c(C(=O)NCCN2CCCC2)cc2c1CCN(Cc1cccc(F)c1)C2.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-1-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is ODFVGOGLZBTIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O/c1-25-20-7-11-27(15-17-5-4-6-19(23)13-17)16-18(20)14-21(25)22(28)24-8-12-26-9-2-3-10-26/h4-6,13-14H,2-3,7-12,15-16H2,1H3,(H,24,28).
What are the key properties of 5-[(3-fluorophenyl)methyl]-1-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
5-[(3-fluorophenyl)methyl]-1-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 2.55, 6 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-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53160841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).