3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one

C22H23N5O2 — CID 143135743

IUPAC3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]nc(C2=CCNC=C2)cc1-c1[nH]c2ccccc2c1CN1CCOCC1
InChIInChI=1S/C22H23N5O2/c28-22-17(13-20(25-26-22)15-5-7-23-8-6-15)21-18(14-27-9-11-29-12-10-27)16-3-1-2-4-19(16)24-21/h1-7,13,23-24H,8-12,14H2,(H,26,28)
InChIKeyFFCVTCKMHPIXNS-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.25
Rot. Bonds4

About 3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one

3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one (PubChem CID 143135743) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one
PubChem CID143135743
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]nc(C2=CCNC=C2)cc1-c1[nH]c2ccccc2c1CN1CCOCC1
InChIInChI=1S/C22H23N5O2/c28-22-17(13-20(25-26-22)15-5-7-23-8-6-15)21-18(14-27-9-11-29-12-10-27)16-3-1-2-4-19(16)24-21/h1-7,13,23-24H,8-12,14H2,(H,26,28)
InChIKeyFFCVTCKMHPIXNS-UHFFFAOYSA-N
XLogP2.25
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one (CID 143135743) is 3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one is O=c1[nH]nc(C2=CCNC=C2)cc1-c1[nH]c2ccccc2c1CN1CCOCC1.
What is the InChIKey of 3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one?
The InChIKey is FFCVTCKMHPIXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-22-17(13-20(25-26-22)15-5-7-23-8-6-15)21-18(14-27-9-11-29-12-10-27)16-3-1-2-4-19(16)24-21/h1-7,13,23-24H,8-12,14H2,(H,26,28).
What are the key properties of 3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one?
3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one has a molecular weight of 389.46 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 143135743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).