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

C19H20N6O3S — CID 71726498

IUPACN-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCCn1cc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)nc2)cn1
InChIInChI=1S/C19H20N6O3S/c1-2-25-13-18(10-23-25)29(27,28)17-4-3-16(21-9-17)8-22-19(26)24-11-14-5-6-20-7-15(14)12-24/h3-7,9-10,13H,2,8,11-12H2,1H3,(H,22,26)
InChIKeySQRPCGLNUCLOED-UHFFFAOYSA-N
MW412.48 g/mol
LogP1.75
Rot. Bonds5

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

N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 71726498) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID71726498
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC NameN-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCCn1cc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)nc2)cn1
InChIInChI=1S/C19H20N6O3S/c1-2-25-13-18(10-23-25)29(27,28)17-4-3-16(21-9-17)8-22-19(26)24-11-14-5-6-20-7-15(14)12-24/h3-7,9-10,13H,2,8,11-12H2,1H3,(H,22,26)
InChIKeySQRPCGLNUCLOED-UHFFFAOYSA-N
XLogP1.75
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 71726498) is N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is CCn1cc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)nc2)cn1.
What is the InChIKey of N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is SQRPCGLNUCLOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-2-25-13-18(10-23-25)29(27,28)17-4-3-16(21-9-17)8-22-19(26)24-11-14-5-6-20-7-15(14)12-24/h3-7,9-10,13H,2,8,11-12H2,1H3,(H,22,26).
What are the key properties of N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 71726498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).