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

C20H16F2N4O3S — CID 118193537

IUPACN-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cn1)N1Cc2ccncc2C1
InChIInChI=1S/C20H16F2N4O3S/c21-15-5-16(22)7-19(6-15)30(28,29)18-2-1-17(24-10-18)9-25-20(27)26-11-13-3-4-23-8-14(13)12-26/h1-8,10H,9,11-12H2,(H,25,27)
InChIKeyRKFVCFXKZVKYOV-UHFFFAOYSA-N
MW430.44 g/mol
LogP2.81
Rot. Bonds4

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

N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 118193537) has the molecular formula C20H16F2N4O3S and a molecular weight of 430.44 g/mol. Its IUPAC name is N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID118193537
Molecular FormulaC20H16F2N4O3S
Molecular Weight430.44 g/mol
Exact Mass430.09
IUPAC NameN-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cn1)N1Cc2ccncc2C1
InChIInChI=1S/C20H16F2N4O3S/c21-15-5-16(22)7-19(6-15)30(28,29)18-2-1-17(24-10-18)9-25-20(27)26-11-13-3-4-23-8-14(13)12-26/h1-8,10H,9,11-12H2,(H,25,27)
InChIKeyRKFVCFXKZVKYOV-UHFFFAOYSA-N
XLogP2.81
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 118193537) is N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cn1)N1Cc2ccncc2C1.
What is the InChIKey of N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is RKFVCFXKZVKYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O3S/c21-15-5-16(22)7-19(6-15)30(28,29)18-2-1-17(24-10-18)9-25-20(27)26-11-13-3-4-23-8-14(13)12-26/h1-8,10H,9,11-12H2,(H,25,27).
What are the key properties of N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 430.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 118193537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).