[5-amino-1-(4-pyridin-2-yloxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone

C23H17N5O2 — CID 118138248

IUPAC[5-amino-1-(4-pyridin-2-yloxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESNc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C23H17N5O2/c24-23-18(22(29)20-13-15-5-1-2-6-19(15)27-20)14-26-28(23)16-8-10-17(11-9-16)30-21-7-3-4-12-25-21/h1-14,27H,24H2
InChIKeyRMKDVCIXZWYURL-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.35
Rot. Bonds5

About [5-amino-1-(4-pyridin-2-yloxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone

[5-amino-1-(4-pyridin-2-yloxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (PubChem CID 118138248) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is [5-amino-1-(4-pyridin-2-yloxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(4-pyridin-2-yloxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
PubChem CID118138248
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC Name[5-amino-1-(4-pyridin-2-yloxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESNc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C23H17N5O2/c24-23-18(22(29)20-13-15-5-1-2-6-19(15)27-20)14-26-28(23)16-8-10-17(11-9-16)30-21-7-3-4-12-25-21/h1-14,27H,24H2
InChIKeyRMKDVCIXZWYURL-UHFFFAOYSA-N
XLogP4.35
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-pyridin-2-yloxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [5-amino-1-(4-pyridin-2-yloxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (CID 118138248) is [5-amino-1-(4-pyridin-2-yloxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(4-pyridin-2-yloxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [5-amino-1-(4-pyridin-2-yloxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone is Nc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc(Oc2ccccn2)cc1.
What is the InChIKey of [5-amino-1-(4-pyridin-2-yloxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The InChIKey is RMKDVCIXZWYURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c24-23-18(22(29)20-13-15-5-1-2-6-19(15)27-20)14-26-28(23)16-8-10-17(11-9-16)30-21-7-3-4-12-25-21/h1-14,27H,24H2.
What are the key properties of [5-amino-1-(4-pyridin-2-yloxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
[5-amino-1-(4-pyridin-2-yloxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone has a molecular weight of 395.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-pyridin-2-yloxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 118138248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).