2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile

C32H33N7O3 — CID 175789453

IUPAC2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile
SMILESCOc1cc2[nH]nc(-c3ccc(C4C(C#N)CCN4C(=O)[C@H]4COCCN4C)nc3)c2nc1-c1cccc2c1CCC2
InChIInChI=1S/C32H33N7O3/c1-38-13-14-42-18-26(38)32(40)39-12-11-20(16-33)31(39)24-10-9-21(17-34-24)28-30-25(36-37-28)15-27(41-2)29(35-30)23-8-4-6-19-5-3-7-22(19)23/h4,6,8-10,15,17,20,26,31H,3,5,7,11-14,18H2,1-2H3,(H,36,37)/t20?,26-,31?/m1/s1
InChIKeyZYWYXVFEKALJOV-UCLRHRAXSA-N
MW563.66 g/mol
LogP3.93
Rot. Bonds5

About 2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile

2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile (PubChem CID 175789453) has the molecular formula C32H33N7O3 and a molecular weight of 563.66 g/mol. Its IUPAC name is 2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile
PubChem CID175789453
Molecular FormulaC32H33N7O3
Molecular Weight563.66 g/mol
Exact Mass563.26
IUPAC Name2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile
SMILESCOc1cc2[nH]nc(-c3ccc(C4C(C#N)CCN4C(=O)[C@H]4COCCN4C)nc3)c2nc1-c1cccc2c1CCC2
InChIInChI=1S/C32H33N7O3/c1-38-13-14-42-18-26(38)32(40)39-12-11-20(16-33)31(39)24-10-9-21(17-34-24)28-30-25(36-37-28)15-27(41-2)29(35-30)23-8-4-6-19-5-3-7-22(19)23/h4,6,8-10,15,17,20,26,31H,3,5,7,11-14,18H2,1-2H3,(H,36,37)/t20?,26-,31?/m1/s1
InChIKeyZYWYXVFEKALJOV-UCLRHRAXSA-N
XLogP3.93
TPSA120.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.66
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile with MolForge

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Related Compounds

[3-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]pyrrolidin-1-yl]-(4-methylmorpholin-3-yl)methanone
CID 161414091
[3-[(E)-[4-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]pyrazol-1-ium-1-ylidene]methyl]pyrrolidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone
CID 156727642
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
1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile
CID 175870662
[(7R,8aS)-2-[5-[5-(2,3-dimethylphenyl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl] methanesulfonate
CID 168814992
8-fluoro-2-methoxy-4-[(1R,5R)-2-prop-2-enoyl-2,6-diazabicyclo[3.2.0]heptan-6-yl]-7-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,6-naphthyridine-3-carbonitrile
CID 170370296
5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide
CID 134327663
4-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 147099645
4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one
CID 155484485
2,3-dihydroindol-1-yl-[(2R)-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]pyrrolidin-2-yl]methanone
CID 118879005
2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile
CID 116864667
[3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone
CID 91777127

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile?
The IUPAC name of 2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile (CID 175789453) is 2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for 2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile?
The canonical SMILES for 2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile is COc1cc2[nH]nc(-c3ccc(C4C(C#N)CCN4C(=O)[C@H]4COCCN4C)nc3)c2nc1-c1cccc2c1CCC2.
What is the InChIKey of 2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile?
The InChIKey is ZYWYXVFEKALJOV-UCLRHRAXSA-N. The full InChI is InChI=1S/C32H33N7O3/c1-38-13-14-42-18-26(38)32(40)39-12-11-20(16-33)31(39)24-10-9-21(17-34-24)28-30-25(36-37-28)15-27(41-2)29(35-30)23-8-4-6-19-5-3-7-22(19)23/h4,6,8-10,15,17,20,26,31H,3,5,7,11-14,18H2,1-2H3,(H,36,37)/t20?,26-,31?/m1/s1.
What are the key properties of 2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile?
2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile has a molecular weight of 563.66 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 175789453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).