N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

C20H16F2N6O2 — CID 170957773

IUPACN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCc1cnc2n[nH]c(C(=O)N[C@@H]3CCc4cc(-c5noc(C(F)F)n5)ccc43)c2c1
InChIInChI=1S/C20H16F2N6O2/c1-9-6-13-15(26-27-18(13)23-8-9)19(29)24-14-5-3-10-7-11(2-4-12(10)14)17-25-20(16(21)22)30-28-17/h2,4,6-8,14,16H,3,5H2,1H3,(H,24,29)(H,23,26,27)/t14-/m1/s1
InChIKeyAIZQNBSPQZMXGN-CQSZACIVSA-N
MW410.38 g/mol
LogP3.67
Rot. Bonds4

About N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 170957773) has the molecular formula C20H16F2N6O2 and a molecular weight of 410.38 g/mol. Its IUPAC name is N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID170957773
Molecular FormulaC20H16F2N6O2
Molecular Weight410.38 g/mol
Exact Mass410.13
IUPAC NameN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCc1cnc2n[nH]c(C(=O)N[C@@H]3CCc4cc(-c5noc(C(F)F)n5)ccc43)c2c1
InChIInChI=1S/C20H16F2N6O2/c1-9-6-13-15(26-27-18(13)23-8-9)19(29)24-14-5-3-10-7-11(2-4-12(10)14)17-25-20(16(21)22)30-28-17/h2,4,6-8,14,16H,3,5H2,1H3,(H,24,29)(H,23,26,27)/t14-/m1/s1
InChIKeyAIZQNBSPQZMXGN-CQSZACIVSA-N
XLogP3.67
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 170957773) is N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is Cc1cnc2n[nH]c(C(=O)N[C@@H]3CCc4cc(-c5noc(C(F)F)n5)ccc43)c2c1.
What is the InChIKey of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is AIZQNBSPQZMXGN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H16F2N6O2/c1-9-6-13-15(26-27-18(13)23-8-9)19(29)24-14-5-3-10-7-11(2-4-12(10)14)17-25-20(16(21)22)30-28-17/h2,4,6-8,14,16H,3,5H2,1H3,(H,24,29)(H,23,26,27)/t14-/m1/s1.
What are the key properties of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 410.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 170957773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).