[3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

C25H23N5O2 — CID 70840387

IUPAC[3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2cnc3n[nH]c(-c4ccc5c(c4)NCC5)c3c2)c1)N1CCOCC1
InChIInChI=1S/C25H23N5O2/c31-25(30-8-10-32-11-9-30)19-3-1-2-17(12-19)20-13-21-23(28-29-24(21)27-15-20)18-5-4-16-6-7-26-22(16)14-18/h1-5,12-15,26H,6-11H2,(H,27,28,29)
InChIKeyRTLJESVAPSENLX-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.73
Rot. Bonds3

About [3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

[3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 70840387) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is [3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID70840387
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name[3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2cnc3n[nH]c(-c4ccc5c(c4)NCC5)c3c2)c1)N1CCOCC1
InChIInChI=1S/C25H23N5O2/c31-25(30-8-10-32-11-9-30)19-3-1-2-17(12-19)20-13-21-23(28-29-24(21)27-15-20)18-5-4-16-6-7-26-22(16)14-18/h1-5,12-15,26H,6-11H2,(H,27,28,29)
InChIKeyRTLJESVAPSENLX-UHFFFAOYSA-N
XLogP3.73
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (CID 70840387) is [3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1cccc(-c2cnc3n[nH]c(-c4ccc5c(c4)NCC5)c3c2)c1)N1CCOCC1.
What is the InChIKey of [3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is RTLJESVAPSENLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-25(30-8-10-32-11-9-30)19-3-1-2-17(12-19)20-13-21-23(28-29-24(21)27-15-20)18-5-4-16-6-7-26-22(16)14-18/h1-5,12-15,26H,6-11H2,(H,27,28,29).
What are the key properties of [3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
[3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 425.49 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70840387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).