5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

C25H24N6O2 — CID 66693757

IUPAC5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1noc(Cc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)c1CN1CCCC1
InChIInChI=1S/C25H24N6O2/c26-25(32)24-20(14-31-8-1-2-9-31)23(33-30-24)12-16-10-15(11-22-19(16)13-28-29-22)17-4-3-5-21-18(17)6-7-27-21/h3-7,10-11,13,27H,1-2,8-9,12,14H2,(H2,26,32)(H,28,29)
InChIKeyGMHWVFKSQAQBML-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.98
Rot. Bonds6

About 5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 66693757) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID66693757
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1noc(Cc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)c1CN1CCCC1
InChIInChI=1S/C25H24N6O2/c26-25(32)24-20(14-31-8-1-2-9-31)23(33-30-24)12-16-10-15(11-22-19(16)13-28-29-22)17-4-3-5-21-18(17)6-7-27-21/h3-7,10-11,13,27H,1-2,8-9,12,14H2,(H2,26,32)(H,28,29)
InChIKeyGMHWVFKSQAQBML-UHFFFAOYSA-N
XLogP3.98
TPSA116.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide (CID 66693757) is 5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide is NC(=O)c1noc(Cc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)c1CN1CCCC1.
What is the InChIKey of 5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GMHWVFKSQAQBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c26-25(32)24-20(14-31-8-1-2-9-31)23(33-30-24)12-16-10-15(11-22-19(16)13-28-29-22)17-4-3-5-21-18(17)6-7-27-21/h3-7,10-11,13,27H,1-2,8-9,12,14H2,(H2,26,32)(H,28,29).
What are the key properties of 5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66693757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).