N-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C20H17FN4O3S — CID 118193547

IUPACN-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(F)c2)cn1)N1Cc2ccncc2C1
InChIInChI=1S/C20H17FN4O3S/c21-16-2-1-3-18(8-16)29(27,28)19-5-4-17(23-11-19)10-24-20(26)25-12-14-6-7-22-9-15(14)13-25/h1-9,11H,10,12-13H2,(H,24,26)
InChIKeyVQUDBVVVCVYOIW-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.67
Rot. Bonds4

About N-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 118193547) has the molecular formula C20H17FN4O3S and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID118193547
Molecular FormulaC20H17FN4O3S
Molecular Weight412.45 g/mol
Exact Mass412.10
IUPAC NameN-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(F)c2)cn1)N1Cc2ccncc2C1
InChIInChI=1S/C20H17FN4O3S/c21-16-2-1-3-18(8-16)29(27,28)19-5-4-17(23-11-19)10-24-20(26)25-12-14-6-7-22-9-15(14)13-25/h1-9,11H,10,12-13H2,(H,24,26)
InChIKeyVQUDBVVVCVYOIW-UHFFFAOYSA-N
XLogP2.67
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 118193547) is N-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cccc(F)c2)cn1)N1Cc2ccncc2C1.
What is the InChIKey of N-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is VQUDBVVVCVYOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S/c21-16-2-1-3-18(8-16)29(27,28)19-5-4-17(23-11-19)10-24-20(26)25-12-14-6-7-22-9-15(14)13-25/h1-9,11H,10,12-13H2,(H,24,26).
What are the key properties of N-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 118193547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).