3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide

C24H28N6O3 — CID 176706136

IUPAC3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc3cnn(CCO)c3c2)nc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C24H28N6O3/c25-22-21(23(32)29-20-16-5-13-6-17(20)10-24(33,8-13)9-16)28-18(12-26-22)14-1-2-15-11-27-30(3-4-31)19(15)7-14/h1-2,7,11-13,16-17,20,31,33H,3-6,8-10H2,(H2,25,26)(H,29,32)
InChIKeyONHGYXIJIQVIDR-UHFFFAOYSA-N
MW448.53 g/mol
LogP1.74
Rot. Bonds5

About 3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide

3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide (PubChem CID 176706136) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide
PubChem CID176706136
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc3cnn(CCO)c3c2)nc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C24H28N6O3/c25-22-21(23(32)29-20-16-5-13-6-17(20)10-24(33,8-13)9-16)28-18(12-26-22)14-1-2-15-11-27-30(3-4-31)19(15)7-14/h1-2,7,11-13,16-17,20,31,33H,3-6,8-10H2,(H2,25,26)(H,29,32)
InChIKeyONHGYXIJIQVIDR-UHFFFAOYSA-N
XLogP1.74
TPSA139.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide (CID 176706136) is 3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide is Nc1ncc(-c2ccc3cnn(CCO)c3c2)nc1C(=O)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide?
The InChIKey is ONHGYXIJIQVIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c25-22-21(23(32)29-20-16-5-13-6-17(20)10-24(33,8-13)9-16)28-18(12-26-22)14-1-2-15-11-27-30(3-4-31)19(15)7-14/h1-2,7,11-13,16-17,20,31,33H,3-6,8-10H2,(H2,25,26)(H,29,32).
What are the key properties of 3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide?
3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 1.74, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 176706136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).