[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

C31H34N6O2 — CID 161414091

IUPAC[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
SMILESCc1cc2[nH]nc(-c3ccc(C4CCN(C(=O)C5COCCN5C)C4)nc3)c2nc1-c1cccc2c1CCC2
InChIInChI=1S/C31H34N6O2/c1-19-15-26-30(33-28(19)24-8-4-6-20-5-3-7-23(20)24)29(35-34-26)21-9-10-25(32-16-21)22-11-12-37(17-22)31(38)27-18-39-14-13-36(27)2/h4,6,8-10,15-16,22,27H,3,5,7,11-14,17-18H2,1-2H3,(H,34,35)
InChIKeyVVVRSPHNHMBMKB-UHFFFAOYSA-N
MW522.65 g/mol
LogP4.13
Rot. Bonds4

About [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

[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 (PubChem CID 161414091) has the molecular formula C31H34N6O2 and a molecular weight of 522.65 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID161414091
Molecular FormulaC31H34N6O2
Molecular Weight522.65 g/mol
Exact Mass522.27
IUPAC Name[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
SMILESCc1cc2[nH]nc(-c3ccc(C4CCN(C(=O)C5COCCN5C)C4)nc3)c2nc1-c1cccc2c1CCC2
InChIInChI=1S/C31H34N6O2/c1-19-15-26-30(33-28(19)24-8-4-6-20-5-3-7-23(20)24)29(35-34-26)21-9-10-25(32-16-21)22-11-12-37(17-22)31(38)27-18-39-14-13-36(27)2/h4,6,8-10,15-16,22,27H,3,5,7,11-14,17-18H2,1-2H3,(H,34,35)
InChIKeyVVVRSPHNHMBMKB-UHFFFAOYSA-N
XLogP4.13
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.65
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1cc2[nH]nc(-c3ccc(C4CCN(C(=O)C5COCCN5C)C4)nc3)c2nc1-c1cccc2c1CCC2.
What is the InChIKey of [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?
The InChIKey is VVVRSPHNHMBMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O2/c1-19-15-26-30(33-28(19)24-8-4-6-20-5-3-7-23(20)24)29(35-34-26)21-9-10-25(32-16-21)22-11-12-37(17-22)31(38)27-18-39-14-13-36(27)2/h4,6,8-10,15-16,22,27H,3,5,7,11-14,17-18H2,1-2H3,(H,34,35).
What are the key properties of [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?
[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 has a molecular weight of 522.65 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 161414091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).