1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

C27H27N5O2 — CID 175789450

IUPAC1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCOc1cc2[nH]nc(-c3ccc(CC45CNC(CO4)C5)nc3)c2nc1-c1cccc2c1CCC2
InChIInChI=1S/C27H27N5O2/c1-33-23-10-22-26(30-25(23)21-7-3-5-16-4-2-6-20(16)21)24(32-31-22)17-8-9-18(28-13-17)11-27-12-19(14-34-27)29-15-27/h3,5,7-10,13,19,29H,2,4,6,11-12,14-15H2,1H3,(H,31,32)
InChIKeyDWHUUCIVWKNFKU-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.86
Rot. Bonds5

About 1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 175789450) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID175789450
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCOc1cc2[nH]nc(-c3ccc(CC45CNC(CO4)C5)nc3)c2nc1-c1cccc2c1CCC2
InChIInChI=1S/C27H27N5O2/c1-33-23-10-22-26(30-25(23)21-7-3-5-16-4-2-6-20(16)21)24(32-31-22)17-8-9-18(28-13-17)11-27-12-19(14-34-27)29-15-27/h3,5,7-10,13,19,29H,2,4,6,11-12,14-15H2,1H3,(H,31,32)
InChIKeyDWHUUCIVWKNFKU-UHFFFAOYSA-N
XLogP3.86
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (CID 175789450) is 1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is COc1cc2[nH]nc(-c3ccc(CC45CNC(CO4)C5)nc3)c2nc1-c1cccc2c1CCC2.
What is the InChIKey of 1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is DWHUUCIVWKNFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-33-23-10-22-26(30-25(23)21-7-3-5-16-4-2-6-20(16)21)24(32-31-22)17-8-9-18(28-13-17)11-27-12-19(14-34-27)29-15-27/h3,5,7-10,13,19,29H,2,4,6,11-12,14-15H2,1H3,(H,31,32).
What are the key properties of 1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 453.55 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 175789450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).