4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine

C24H22N6O — CID 170984757

IUPAC4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine
SMILESc1cnc(-c2ccc3[nH]nc(-c4cc5cc(CN6CCOCC6)ccc5[nH]4)c3c2)cn1
InChIInChI=1S/C24H22N6O/c1-3-20-18(11-16(1)15-30-7-9-31-10-8-30)13-22(27-20)24-19-12-17(2-4-21(19)28-29-24)23-14-25-5-6-26-23/h1-6,11-14,27H,7-10,15H2,(H,28,29)
InChIKeyZKEXMZZKTCVTLU-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.00
Rot. Bonds4

About 4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine

4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine (PubChem CID 170984757) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine
PubChem CID170984757
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine
SMILESc1cnc(-c2ccc3[nH]nc(-c4cc5cc(CN6CCOCC6)ccc5[nH]4)c3c2)cn1
InChIInChI=1S/C24H22N6O/c1-3-20-18(11-16(1)15-30-7-9-31-10-8-30)13-22(27-20)24-19-12-17(2-4-21(19)28-29-24)23-14-25-5-6-26-23/h1-6,11-14,27H,7-10,15H2,(H,28,29)
InChIKeyZKEXMZZKTCVTLU-UHFFFAOYSA-N
XLogP4.00
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine
CID 135461250
1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone
CID 170984654
3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid
CID 141148126
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-5-carboxylic acid
CID 39219781
5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135687542
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137087962
7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 14953567
3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide
CID 10362758
3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137283124
3-(4-piperidin-1-yl-1H-indol-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137115804
1-[[2-(5-ethynyl-4-methyl-1H-pyrazol-3-yl)-1H-indol-5-yl]methyl]-4-methyl-1,4-diazepan-5-one
CID 142221993
7-pyridin-2-yl-2-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 137218647

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine (CID 170984757) is 4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine is c1cnc(-c2ccc3[nH]nc(-c4cc5cc(CN6CCOCC6)ccc5[nH]4)c3c2)cn1.
What is the InChIKey of 4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine?
The InChIKey is ZKEXMZZKTCVTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-3-20-18(11-16(1)15-30-7-9-31-10-8-30)13-22(27-20)24-19-12-17(2-4-21(19)28-29-24)23-14-25-5-6-26-23/h1-6,11-14,27H,7-10,15H2,(H,28,29).
What are the key properties of 4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine?
4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine has a molecular weight of 410.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine is sourced from PubChem (CID 170984757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).