4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine

C25H24N6O — CID 135433128

IUPAC4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine
SMILESCc1c(CN2CCOCC2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C25H24N6O/c1-16-18(15-31-8-10-32-11-9-31)13-26-14-20(16)17-6-7-21-19(12-17)24(30-29-21)25-27-22-4-2-3-5-23(22)28-25/h2-7,12-14H,8-11,15H2,1H3,(H,27,28)(H,29,30)
InChIKeyNYJVCBVNBLQTSD-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.31
Rot. Bonds4

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

4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine (PubChem CID 135433128) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine
PubChem CID135433128
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine
SMILESCc1c(CN2CCOCC2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C25H24N6O/c1-16-18(15-31-8-10-32-11-9-31)13-26-14-20(16)17-6-7-21-19(12-17)24(30-29-21)25-27-22-4-2-3-5-23(22)28-25/h2-7,12-14H,8-11,15H2,1H3,(H,27,28)(H,29,30)
InChIKeyNYJVCBVNBLQTSD-UHFFFAOYSA-N
XLogP4.31
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine?
The IUPAC name of 4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine (CID 135433128) is 4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine?
The canonical SMILES for 4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine is Cc1c(CN2CCOCC2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of 4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine?
The InChIKey is NYJVCBVNBLQTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-16-18(15-31-8-10-32-11-9-31)13-26-14-20(16)17-6-7-21-19(12-17)24(30-29-21)25-27-22-4-2-3-5-23(22)28-25/h2-7,12-14H,8-11,15H2,1H3,(H,27,28)(H,29,30).
What are the key properties of 4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine?
4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine has a molecular weight of 424.51 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine is sourced from PubChem (CID 135433128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).