1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide

C24H24N6O3 — CID 158013193

IUPAC1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide
SMILESCOCCn1cc(C(=O)NC2=Nc3c(-c4ccc5n[nH]c(C)c5c4)ccc(OC)c3C2)cn1
InChIInChI=1S/C24H24N6O3/c1-14-18-10-15(4-6-20(18)29-28-14)17-5-7-21(33-3)19-11-22(26-23(17)19)27-24(31)16-12-25-30(13-16)8-9-32-2/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,28,29)(H,26,27,31)
InChIKeyFFDLWMCMGOUTJQ-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.41
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide

1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide (PubChem CID 158013193) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide
PubChem CID158013193
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide
SMILESCOCCn1cc(C(=O)NC2=Nc3c(-c4ccc5n[nH]c(C)c5c4)ccc(OC)c3C2)cn1
InChIInChI=1S/C24H24N6O3/c1-14-18-10-15(4-6-20(18)29-28-14)17-5-7-21(33-3)19-11-22(26-23(17)19)27-24(31)16-12-25-30(13-16)8-9-32-2/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,28,29)(H,26,27,31)
InChIKeyFFDLWMCMGOUTJQ-UHFFFAOYSA-N
XLogP3.41
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide (CID 158013193) is 1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide is COCCn1cc(C(=O)NC2=Nc3c(-c4ccc5n[nH]c(C)c5c4)ccc(OC)c3C2)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide?
The InChIKey is FFDLWMCMGOUTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-14-18-10-15(4-6-20(18)29-28-14)17-5-7-21(33-3)19-11-22(26-23(17)19)27-24(31)16-12-25-30(13-16)8-9-32-2/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,28,29)(H,26,27,31).
What are the key properties of 1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide?
1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 158013193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).