1H-inden-4-yl 3-[6-(hydroxymethyl)-3-pyridinyl]-6-methoxy-2,3-dihydropyrazolo[4,3-b]pyridine-1-carboxylate

C23H20N4O4 — CID 175952328

IUPAC1H-inden-4-yl 3-[6-(hydroxymethyl)-3-pyridinyl]-6-methoxy-2,3-dihydropyrazolo[4,3-b]pyridine-1-carboxylate
SMILESCOc1cnc2c(c1)N(C(=O)Oc1cccc3c1C=CC3)NC2c1ccc(CO)nc1
InChIInChI=1S/C23H20N4O4/c1-30-17-10-19-22(25-12-17)21(15-8-9-16(13-28)24-11-15)26-27(19)23(29)31-20-7-3-5-14-4-2-6-18(14)20/h2-3,5-12,21,26,28H,4,13H2,1H3
InChIKeyAIJKPZFSKCHZBS-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.16
Rot. Bonds4

About 1H-inden-4-yl 3-[6-(hydroxymethyl)-3-pyridinyl]-6-methoxy-2,3-dihydropyrazolo[4,3-b]pyridine-1-carboxylate

1H-inden-4-yl 3-[6-(hydroxymethyl)-3-pyridinyl]-6-methoxy-2,3-dihydropyrazolo[4,3-b]pyridine-1-carboxylate (PubChem CID 175952328) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 1H-inden-4-yl 3-[6-(hydroxymethyl)-3-pyridinyl]-6-methoxy-2,3-dihydropyrazolo[4,3-b]pyridine-1-carboxylate.

Molecular Properties

Compound Name1H-inden-4-yl 3-[6-(hydroxymethyl)-3-pyridinyl]-6-methoxy-2,3-dihydropyrazolo[4,3-b]pyridine-1-carboxylate
PubChem CID175952328
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name1H-inden-4-yl 3-[6-(hydroxymethyl)-3-pyridinyl]-6-methoxy-2,3-dihydropyrazolo[4,3-b]pyridine-1-carboxylate
SMILESCOc1cnc2c(c1)N(C(=O)Oc1cccc3c1C=CC3)NC2c1ccc(CO)nc1
InChIInChI=1S/C23H20N4O4/c1-30-17-10-19-22(25-12-17)21(15-8-9-16(13-28)24-11-15)26-27(19)23(29)31-20-7-3-5-14-4-2-6-18(14)20/h2-3,5-12,21,26,28H,4,13H2,1H3
InChIKeyAIJKPZFSKCHZBS-UHFFFAOYSA-N
XLogP3.16
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1H-inden-4-yl 3-[6-(hydroxymethyl)-3-pyridinyl]-6-methoxy-2,3-dihydropyrazolo[4,3-b]pyridine-1-carboxylate?
The IUPAC name of 1H-inden-4-yl 3-[6-(hydroxymethyl)-3-pyridinyl]-6-methoxy-2,3-dihydropyrazolo[4,3-b]pyridine-1-carboxylate (CID 175952328) is 1H-inden-4-yl 3-[6-(hydroxymethyl)-3-pyridinyl]-6-methoxy-2,3-dihydropyrazolo[4,3-b]pyridine-1-carboxylate.
What is the SMILES notation for 1H-inden-4-yl 3-[6-(hydroxymethyl)-3-pyridinyl]-6-methoxy-2,3-dihydropyrazolo[4,3-b]pyridine-1-carboxylate?
The canonical SMILES for 1H-inden-4-yl 3-[6-(hydroxymethyl)-3-pyridinyl]-6-methoxy-2,3-dihydropyrazolo[4,3-b]pyridine-1-carboxylate is COc1cnc2c(c1)N(C(=O)Oc1cccc3c1C=CC3)NC2c1ccc(CO)nc1.
What is the InChIKey of 1H-inden-4-yl 3-[6-(hydroxymethyl)-3-pyridinyl]-6-methoxy-2,3-dihydropyrazolo[4,3-b]pyridine-1-carboxylate?
The InChIKey is AIJKPZFSKCHZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-30-17-10-19-22(25-12-17)21(15-8-9-16(13-28)24-11-15)26-27(19)23(29)31-20-7-3-5-14-4-2-6-18(14)20/h2-3,5-12,21,26,28H,4,13H2,1H3.
What are the key properties of 1H-inden-4-yl 3-[6-(hydroxymethyl)-3-pyridinyl]-6-methoxy-2,3-dihydropyrazolo[4,3-b]pyridine-1-carboxylate?
1H-inden-4-yl 3-[6-(hydroxymethyl)-3-pyridinyl]-6-methoxy-2,3-dihydropyrazolo[4,3-b]pyridine-1-carboxylate has a molecular weight of 416.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-4-yl 3-[6-(hydroxymethyl)-3-pyridinyl]-6-methoxy-2,3-dihydropyrazolo[4,3-b]pyridine-1-carboxylate is sourced from PubChem (CID 175952328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).